(4aR,6aR,6aR,8aS,9R,10S,14S,14aS)-2,2,4a,6a,8a,9,14a-heptamethyl-10,14-bis(oxidanyl)-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-6a-carbaldehyde

Systemtic Name: (4aR,6aR,6aR,8aS,9R,10S,14S,14aS)-2,2,4a,6a,8a,9,14a-heptamethyl-10,14-bis(oxidanyl)-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-6a-carbaldehyde Openeye Name: (4aR,6aR,6aR,8aS,9R,10S,14S,14aS)-10,14-dihydroxy-2,2,4a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-6a-carbaldehyde CAS Name: (4aR,6aR,6aR,8aS,9R,10S,14S,14aS)-10,14-dihydroxy-2,2,4a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-6a-carboxaldehyde IUPAC Name: (4aR,6aR,6aR,8aS,9R,10S,14S,14aS)-10,14-dihydroxy-2,2,4a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-6a-carbaldehyde Traditional Name: (4aR,6aR,6aR,8aS,9R,10S,14S,14aS)-10,14-dihydroxy-2,2,4a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-6a-carbaldehyde Formula: C30H50O3 MolecularWeight: 458.7162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC2C1(CCC3C2(CC(C4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)O)C=O)C)O

Isomeric SMILES

C[C@H]1[C@H](CCC2[C@@]1(CCC3[C@]2(C[C@@H]([C@@]4([C@@]3(CC[C@@]5(C4CC(CC5)(C)C)C)C)C)O)C=O)C)O

InChI

InChI=1S/C30H50O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(6)15-14-26(4)13-12-25(2,3)16-23(26)29(28,7)24(33)17-30(21,22)18-31/h18-24,32-33H,8-17H2,1-7H3/t19-,20-,21?,22?,23?,24-,26+,27+,28+,29+,30+/m0/s1