(2s,4Ar,4bs,6as,12as,12br)-4a,6a-dimethyl-9,11-dioxo-2,3,4,4a,4b,5,6,6a,8,8a,9,11,11a,11b,12,12a,12b,13-octadecahydro-1h-naphtho[1',2':7,8]fluoreno[1,2-c]furan-2,7-diyl diacetate
Basic information
- CAS
24359-05-5- Standard SMILES
CC(=O)OC1=C2C(C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]23C)C2C(=O)OC(=O)C2C1- InChIKey
SPDGZKJSOWGZIE-DALVSREYSA-N- Molecular formula
- C29H36O7
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.24610348
Names & identifiers
- Preferred name
- (2s,4Ar,4bs,6as,12as,12br)-4a,6a-dimethyl-9,11-dioxo-2,3,4,4a,4b,5,6,6a,8,8a,9,11,11a,11b,12,12a,12b,13-octadecahydro-1h-naphtho[1',2':7,8]fluoreno[1,2-c]furan-2,7-diyl diacetate
- IUPAC
- [(1S,2R,7S,10R,11S,14S)-16-acetyloxy-10,14-dimethyl-19,21-dioxo-20-oxahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-4,15-dien-7-yl] acetate
Names & synonyms
24359-05-5Searle 35(2s,4ar,4bs,6as,12as,12br)-4a,6a-dimethyl-9,11-dioxo-2,3,4,4a,4b,5,6,6a,8,8a,9,11,11a,11b,12,12a,12b,13-octadecahydro-1h-naphtho[1',2':7,8]fluoreno[1,2-c]furan-2,7-diyl diacetateNSC61716DTXSID60289516NSC-6171616,2'-cyclohex-2'-eno)androst-5-ene-5',6'-dicarboxylic anhydride diacetate11H-Indeno[2,10-dicarboxylic anhydride, 1,2,3,4,4a,4b,5,6,6a,8,9,10,10a,11a,11b,12-hexadecahydro-2,7-dihydroxy-4a,6a-dimethyl-, diacetate16,2'-Cyclohex-2'-eno)androst-5-ene-5',6'-dicarboxylic anhydride, 3.beta.,3'-dihydroxy-, diacetate
Database identifiers
- CAS
24359-05-5- PubChem CID
- 247308
- DTXSID
DTXSID60289516
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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