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33 1 1 8 1 10 6 34 2 1 9 7 14 13 35 2 1 12 6 15 20 40 1 1 14 9 19 18 23 2 1 15 1 2 12 21 1 1 27 3 25 24 65 2 1 28 26 30 29 66 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 5.5954 3.93 12.0027 6.6628 7.5288 5.9258 8.3948 6.3309 8.3948 7.3196 6.6628 4.9434 7.5288 9.2888 4.7396 5.7968 9.2888 10.1949 9.2637 4.2723 4.6359 10.1949 8.4189 11.1386 10.1949 3.7227 11.1386 2.9132 3.0169 2 8.2158 5.5777 8.3883 6.6756 9.1342 7.3187 7.9361 6.4507 6.0522 4.3448 7.9274 7.1303 6.1068 5.2598 5.4868 8.8842 9.6824 9.0412 8.6555 4.732 3.8562 3.8126 4.7864 5.2544 10.7306 8.7248 7.8796 8.1131 11.3477 11.7495 10.5885 9.7903 3.2771 4.0699 11.1351 2.4113 2.8664 2.3984 1.7473 1.4338 2.2527 12.0003 -2.5456 -1.4644 2.8336 -0.3108 -0.8108 -0.9778 -0.3108 -1.8856 0.6892 -1.7826 0.6892 -1.0845 1.1892 1.2239 -2.0515 0.1892 -0.8454 0.7101 2.3086 -0.3431 -3.0461 -0.3316 1.7172 1.2453 2.8655 -3.4536 2.3303 -2.8665 -1.8719 -3.2741 -1.3113 -0.2024 -1.1607 -2.6626 0.2699 -2.4026 -1.8486 1.2719 0.5816 -1.2463 1.6642 1.6642 0.7262 0.4992 -0.3477 -1.3152 -1.3244 2.8873 2.1884 0.0729 0.1165 -0.7592 -3.6476 -3.0023 -0.6436 2.2565 2.0231 1.1779 0.6616 1.3514 3.3446 3.3353 -3.8847 -3.9673 2.9503 -2.5026 -1.2705 -1.9157 -2.7079 -3.5267 -3.8402 3.4536 6 5 5 6 5 5 5 6 5 6 5 4 5 6 7 8 9 12 14 15 27 28 16 31 32 33 34 35 20 23 1 3 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 746 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07830000000000000000000000000000001A2000000346081000000120060800000001A00000800000F14A0800202080000060080022042000000000020000000080000000810100200010022400004C0000C0003C0E0FC0F8000000000000000C00004000020000180000C000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydropyran]-16-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-16-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-18-ene-6,2'-oxane]ol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1<I>S</I>,2<I>S</I>,4<I>S</I>,5&apos;<I>R</I>,6<I>R</I>,7<I>S</I>,8<I>R</I>,9<I>S</I>,12<I>S</I>,13<I>R</I>,16<I>S</I>)-5&apos;,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0<SUP>2,9</SUP>.0<SUP>4,8</SUP>.0<SUP>13,18</SUP>]icos-18-ene-6,2&apos;-oxane]-16-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicos-18-ene-6,2'-tetrahydropyran]-16-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WQLVFSAGQJTQCK-VKROHFNGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 414.31339520 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C27H42O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 414.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 414.31339520 30 11 11 0 0 0 0 0 1 -1