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Methyl 5a,5b,7a,10,13b-pentamethyl-13-oxo-3-(propan-2-ylidene)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-10-carboxylate

HCID 199835
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Basic informationNames & identifiersRelated reactionsCompound notes
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Basic information

CAS
5092-03-5
Standard SMILES
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=C(C)C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIKey
BPOXOWMXPXPITE-OUPVPOPFSA-N
Molecular formula
C31H46O3
Average molar mass
466.706 g/mol
Monoisotopic mass
466.34469533

Names & identifiers

Preferred name
Methyl 5a,5b,7a,10,13b-pentamethyl-13-oxo-3-(propan-2-ylidene)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-10-carboxylate
IUPAC
Methyl (3aR,5aR,5bS,7aS,10S,11aR,13aR,13bS)-5a,5b,7a,10,13b-pentamethyl-13-oxo-3-(propan-2-ylidene)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-10-carboxylate
English name
11-Oxo-A-neooleana-3,12-dien-30-oic acid methyl ester
Molecular formula
C31H46O3
Molecular weight
466.69514

Names & synonyms

11-Oxo-A-neooleana-3,12-dien-30-oic acid methyl ester

Database identifiers

CAS
5092-03-5
PubChem CID
199835
DTXSID
DTXSID60965202
Nikkaji
J122.880C

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