Chemical ID: 3966738

CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C
Chemical ID:
3966738
Name [?]:
2-(16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene)-6-methyl-hept-5-enoic acid
SMILES [?]:
CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H48O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:10
ZAP Information [?]
Total:12.9627
Area:710.699
Solvation:-4.80477
Coulombic:-81.3159
Bond Count [?]
All:40
Single:36
Double:4
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:516.709
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.81
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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