CID 9496901
PubChem CID
9496901
Structure
Molecular Formula
Status
Non-live
Molecular Weight
526.8 g/mol
Dates
- Create:2006-07-31
Chemical Structure Depiction
[(4aS,6aR,6bR,8aS,10S,12aR,14aS,14bR)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate
InChI=1S/C34H54O4/c1-22(35)37-21-34-17-12-26-32(8)14-10-24-30(5,6)28(38-23(2)36)13-16-31(24,7)25(32)11-15-33(26,9)27(34)20-29(3,4)18-19-34/h12,24-25,27-28H,10-11,13-21H2,1-9H3/t24-,25-,27-,28+,31+,32-,33-,34+/m1/s1
OPVSJBHDEFPDPU-GVHIOCTDSA-N
CC(=O)OC[C@]12CCC(C[C@@H]1[C@@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@H]5CC[C@]4(C3=CC2)C)(C)C)OC(=O)C)C)C)(C)C
C34H54O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
526.8 g/mol
Property Name
XLogP3-AA
Property Value
9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
526.40221020 g/mol
Property Name
Monoisotopic Mass
Property Value
526.40221020 g/mol
Property Name
Topological Polar Surface Area
Property Value
52.6 A^2
Property Name
Heavy Atom Count
Property Value
38
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
1020
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
8
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
CONTENTS