Basic information
- CAS
76540-25-5- Standard SMILES
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CCC21C- InChIKey
QIRODTHVSNBDCB-UHFFFAOYSA-N- Molecular formula
- C30H52O2
- Average molar mass
- 444.7 g/mol
- Monoisotopic mass
- 444.3967309
Names & identifiers
- Preferred name
- 4,4,6a,6b,9,9,12a,14b-Octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicene-3,10-diol
- IUPAC
- 4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicene-3,10-diol
Names & synonyms
Gammacerane-3,21-diol4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicene-3,10-diolDTXSID70997892
Database identifiers
- CAS
76540-25-5- PubChem CID
- 196472
- DTXSID
DTXSID70997892
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 707
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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