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Chemical ID: 3966738
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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