(4aR,5R,6aR,6bS,8aS,12aS,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-5-oxidanyl-1,2,4a,5,6,7,8,9,10,12,12a,14a-dodecahydropicene-3,14-dione

Systemtic Name: (4aR,5R,6aR,6bS,8aS,12aS,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-5-oxidanyl-1,2,4a,5,6,7,8,9,10,12,12a,14a-dodecahydropicene-3,14-dione Openeye Name: (4aR,5R,6aR,6bS,8aS,12aS,14aR,14bS)-5-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,9,10,12,12a,14a-dodecahydropicene-3,14-dione CAS Name: (4aR,5R,6aR,6bS,8aS,12aS,14aR,14bS)-5-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,9,10,12,12a,14a-dodecahydropicene-3,14-dione IUPAC Name: (4aR,5R,6aR,6bS,8aS,12aS,14aR,14bS)-5-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,9,10,12,12a,14a-dodecahydropicene-3,14-dione Traditional Name: (4aR,5R,6aR,6bS,8aS,12aS,14aR,14bS)-5-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,4a,5,6,7,8,9,10,12,12a,14a-dodecahydropicene-3,14-quinone Formula: C30H46O4 MolecularWeight: 470.68384

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CC(=O)C4C3(CC(C5C4(CCC(=O)C5(C)C)C)O)C)C2C1)C)CO)C

Isomeric SMILES

C[C@]12CCC(=O)C([C@@H]1[C@@H](C[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)O)(C)C

InChI

InChI=1S/C30H46O4/c1-25(2)10-12-30(17-31)13-11-28(6)18(19(30)15-25)14-20(32)24-27(5)9-8-22(34)26(3,4)23(27)21(33)16-29(24,28)7/h14,19,21,23-24,31,33H,8-13,15-17H2,1-7H3/t19-,21+,23-,24+,27-,28+,29+,30+/m0/s1