(4aS,6aS,6aS,6bR,8aS,10S,12aS)-11,11-dideuterio-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-12-oxidanylidene-1,3,4,5,6,6a,7,8,8a,10-decahydropicene-4a-carboxylic acid

Systemtic Name: (4aS,6aS,6aS,6bR,8aS,10S,12aS)-11,11-dideuterio-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-12-oxidanylidene-1,3,4,5,6,6a,7,8,8a,10-decahydropicene-4a-carboxylic acid Openeye Name: (4aS,6aS,6aS,6bR,8aS,10S,12aS)-11,11-dideuterio-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-1,3,4,5,6,6a,7,8,8a,10-decahydropicene-4a-carboxylic acid CAS Name: (4aS,6aS,6aS,6bR,8aS,10S,12aS)-11,11-dideuterio-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-1,3,4,5,6,6a,7,8,8a,10-decahydropicene-4a-carboxylic acid IUPAC Name: (4aS,6aS,6aS,6bR,8aS,10S,12aS)-11,11-dideuterio-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-1,3,4,5,6,6a,7,8,8a,10-decahydropicene-4a-carboxylic acid Traditional Name: (4aS,6aS,6aS,6bR,8aS,10S,12aS)-11,11-dideuterio-10-hydroxy-12-keto-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10-decahydropicene-4a-carboxylic acid Formula: C30H44O4 MolecularWeight: 470.680284

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=C2C1)C=CC4C3(CCC5C4(C(=O)CC(C5(C)C)O)C)C)C)C(=O)O)C

Isomeric SMILES

[2H]C1([C@@H](C([C@@H]2CC[C@@]3([C@@H]([C@]2(C1=O)C)C=CC4=C5CC(CC[C@@]5(CC[C@]43C)C(=O)O)(C)C)C)(C)C)O)[2H]

InChI

InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8-9,20-22,31H,10-17H2,1-7H3,(H,33,34)/t20-,21-,22-,27+,28+,29-,30-/m0/s1/i16D2