(13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-yl) acetate
Basic information
- CAS
52013-77-1- Standard SMILES
CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C1CCC21CO1- InChIKey
CMBIUIQSXCSGJQ-UHFFFAOYSA-N- Molecular formula
- C21H26O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.18819469
Names & identifiers
- Preferred name
- (13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-yl) acetate
- IUPAC
- (13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-yl) acetate
Names & synonyms
52013-77-1NSC307484(13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-yl) acetateDTXSID80316853NSC-30748411a-Methyl-2,3,3a,3b,4,5,9b,10,11,11a-decahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxiran]-7-yl acetate
Database identifiers
- CAS
52013-77-1- PubChem CID
- 328604
- DTXSID
DTXSID80316853
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 545
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Related reactions
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Compound notes
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