(2R,4aR,6bR,10R,12aR,14aS)-2,4a,6b,9,9,12a,14a-heptamethyl-10-oxidanyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid

Systemtic Name: (2R,4aR,6bR,10R,12aR,14aS)-2,4a,6b,9,9,12a,14a-heptamethyl-10-oxidanyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid Openeye Name: (2R,4aR,6bR,10R,12aR,14aS)-10-hydroxy-2,4a,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid CAS Name: (2R,4aR,6bR,10R,12aR,14aS)-10-hydroxy-2,4a,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid IUPAC Name: (2R,4aR,6bR,10R,12aR,14aS)-10-hydroxy-2,4a,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid Traditional Name: (2R,4aR,6bR,10R,12aR,14aS)-10-hydroxy-2,4a,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid Formula: C30H48O3 MolecularWeight: 456.70032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1O)C)CCC4(C3=CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C

Isomeric SMILES

C[C@]12CC[C@@](CC1[C@@]3(CCC4[C@]5(CC[C@H](C(C5CC[C@]4(C3=CC2)C)(C)C)O)C)C)(C)C(=O)O

InChI

InChI=1S/C30H48O3/c1-25(2)19-9-13-29(6)20-8-12-26(3)16-17-27(4,24(32)33)18-22(26)30(20,7)14-10-21(29)28(19,5)15-11-23(25)31/h8,19,21-23,31H,9-18H2,1-7H3,(H,32,33)/t19?,21?,22?,23-,26+,27-,28+,29+,30-/m1/s1