Gammaceran-3,21-diol
Basic information
- CAS
76540-25-5- Standard SMILES
CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12- InChIKey
QIRODTHVSNBDCB-LXSIHWQZSA-N- Molecular formula
- C30H52O2
- Average molar mass
- 444.7 g/mol
- Monoisotopic mass
- 444.3967309
Overview
biosynthesized from squalene or epoxy-dihydrosqualene in cell-free system from Tetrahymena pyriformis; structure given in first source
Names & identifiers
- Preferred name
- Gammaceran-3,21-diol
- IUPAC
- (3R,4aR,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bR)-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
Gammaceran-3,21-diol76540-25-5Gammacerane-3,21-diol, (3alpha,21alpha)-RefChem:142368(3S,4aR,6aR,6aR,6bR,8aR,10R,12aR,14aR,14bR)-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
Database identifiers
- CAS
76540-25-5- PubChem CID
- 10366199
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
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Related reactions
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Compound notes
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