Basic information
- CAS
62008-04-2- Standard SMILES
CC(=O)OC1CC2C3(C)CCC4C(C)(C)CCCC4(C)C3CC(O)C2(C)C2C1=COC2OC(C)=O- InChIKey
VYIQDOVNWPEWRJ-UHFFFAOYSA-N- Molecular formula
- C29H44O6
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.31378912
Overview
(1-Acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl) acetate has been reported in Doriprismatica atromarginata and Hyrtios erectus with data available.
Names & identifiers
- Preferred name
- (1-Acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl) acetate
- IUPAC
- (1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl) acetate
Names & synonyms
(1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl) acetate13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-1,4-diyl diacetateDTXSID00977546NSC369049NSC-369049
Database identifiers
- CAS
62008-04-2- PubChem CID
- 3597
- DTXSID
DTXSID00977546
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 939
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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