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-8.4694 -9.1597 8.4317 8.4317 -3.1191 -2.4289 1.378 2.0683 -9.5517 -9.5517 6.9821 6.9821 -4.6556 3.7696 -2.4536 -3.1439 3.5426 2.8523 -9.3868 -8.1021 -8.1021 7.1471 8.4317 8.4317 -2.544 -3.391 -3.6179 1.9975 1.1506 0.9237 -4.6166 -3.7697 -3.5427 4.4221 5.269 5.4959 -3.9526 -4.6429 5.0416 4.3513 -8.1021 -8.1021 8.4317 8.4317 -2.0744 -1.8475 -1.0006 -0.5754 -0.3484 0.4985 -7.6147 -6.7677 -6.5408 7.4201 8.2671 8.494 -6.1172 -5.427 4.3761 5.0663 -9.5517 -9.5517 6.9821 6.9821 -5.4517 -6.142 6.5406 5.8504 -8.1021 -8.1021 8.4317 8.4317 -5.0725 -4.8456 -3.9986 2.4227 2.6496 3.4966 -10.0768 -10.6968 -10.0768 6.4571 5.8371 6.4571 -7.6537 6.7677 -9.3867 7.1471 -6.9507 -7.641 8.0397 7.3494 -8.1021 -8.1021 8.4317 8.4317 -8.0706 -7.8437 -6.9967 5.4208 5.6477 6.4947 -10.0767 -10.6967 -10.0767 6.4571 5.8371 6.4571 -9.1153 -8.425 8.4317 8.4317 -9.5517 -9.5517 6.9821 6.9821 -8.2196 8.2668 -9.5547 -9.5454 6.9821 6.9821 -7.6333 -6.9477 8.8491 9.5394 -6.423 10.0768 5 6 5 6 5 6 5 6 5 6 6 5 5 6 6 5 5 6 7 8 9 10 19 20 21 22 39 40 43 45 71 72 73 74 87 88 47 48 49 50 55 56 57 58 67 68 69 70 79 80 81 82 91 92 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 1410 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07C3800000000000000000000000000000000000000000000000000000000000000001A00000800000D14A0800202000000060000000000000000000000000000000000000001100200000002400005000003000180C0E00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58S,62S,66R,70R)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58S,62S,66R,70R)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2<I>R</I>,7<I>R</I>,11<I>R</I>,15<I>S</I>,19<I>S</I>,22<I>S</I>,26<I>S</I>,30<I>R</I>,34<I>R</I>,38<I>R</I>,43<I>R</I>,47<I>R</I>,51<I>S</I>,55<I>S</I>,58<I>S</I>,62<I>S</I>,66<I>R</I>,70<I>R</I>)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58S,62S,66R,70R)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58S,62S,66R,70R)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58S,62S,66R,70R)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-38-methylol-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85+,86+/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VMHUDYKDOMRJOK-QUYWEVSVSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 34 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 1301.31539320 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C86H172O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 1302.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCC1)C)C)C)C)C)CO)C)C)C)C)C)C)C)C)CO)C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C@H]1CCC[C@H](CCC[C@H](CCOC[C@H](OCC[C@@H](CCC[C@@H](CCC[C@@H](CCC[C@@H](CC[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CCOC[C@H](OCC[C@@H](CCC[C@@H](CCC[C@@H](CCC[C@@H](CC[C@H](CCC1)C)C)C)C)C)CO)C)C)C)C)C)C)C)C)CO)C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 1301.31539320 92 18 18 0 0 0 0 0 1 -1