4a-(cyclohexa-1,5-dien-1-ylmethyl)-7-oxidanyl-1,3,4,9,10,10a-hexahydrophenanthren-2-one

Systemtic Name: 4a-(cyclohexa-1,5-dien-1-ylmethyl)-7-oxidanyl-1,3,4,9,10,10a-hexahydrophenanthren-2-one Openeye Name: 4a-(cyclohexa-1,5-dien-1-ylmethyl)-7-hydroxy-1,3,4,9,10,10a-hexahydrophenanthren-2-one CAS Name: 4a-(1-cyclohexa-1,5-dienylmethyl)-7-hydroxy-1,3,4,9,10,10a-hexahydrophenanthren-2-one IUPAC Name: 4a-(cyclohexa-1,5-dien-1-ylmethyl)-7-hydroxy-1,3,4,9,10,10a-hexahydrophenanthren-2-one Traditional Name: 4a-(cyclohexa-1,5-dien-1-ylmethyl)-7-hydroxy-1,3,4,9,10,10a-hexahydrophenanthren-2-one Formula: C21H24O2 MolecularWeight: 308.41406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)CC23CCC(=O)CC2CCC4=C3C=CC(=C4)O

Isomeric SMILES

C1CC=C(C=C1)CC23CCC(=O)CC2CCC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H24O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h2,4-5,8-9,12,17,22H,1,3,6-7,10-11,13-14H2