(1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-3-[(1E,3E,5S,6S)-4,6-dimethyl-5,7-bis(oxidanyl)hepta-1,3-dienyl]-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxirene-5,6-diol

Systemtic Name: (1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-3-[(1E,3E,5S,6S)-4,6-dimethyl-5,7-bis(oxidanyl)hepta-1,3-dienyl]-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxirene-5,6-diol Openeye Name: (1aR,2R,3S,3aS,5R,6R,7aR,7bS)-3-[(1E,3E,5S,6S)-5,7-dihydroxy-4,6-dimethyl-hepta-1,3-dienyl]-1a,6-dimethyl-2-[(E)-1-methylprop-1-enyl]-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxirene-5,6-diol CAS Name: (1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-3-[(1E,3E,5S,6S)-5,7-dihydroxy-4,6-dimethylhepta-1,3-dienyl]-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxirene-5,6-diol IUPAC Name: (1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-3-[(1E,3E,5S,6S)-5,7-dihydroxy-4,6-dimethylhepta-1,3-dienyl]-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxirene-5,6-diol Traditional Name: (1aR,2R,3S,3aS,5R,6R,7aR,7bS)-3-[(1E,3E,5S,6S)-5,7-dihydroxy-4,6-dimethyl-hepta-1,3-dienyl]-1a,6-dimethyl-2-[(E)-1-methylprop-1-enyl]-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxirene-5,6-diol Formula: C25H40O5 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C1C(C2CC(C(CC2C3C1(O3)C)(C)O)O)C=CC=C(C)C(C(C)CO)O

Isomeric SMILES

C/C=C(\C)/[C@H]1[C@H]([C@@H]2C[C@H]([C@](C[C@H]2[C@H]3[C@@]1(O3)C)(C)O)O)/C=C/C=C(\C)/[C@H]([C@@H](C)CO)O

InChI

InChI=1S/C25H40O5/c1-7-14(2)21-17(10-8-9-15(3)22(28)16(4)13-26)18-11-20(27)24(5,29)12-19(18)23-25(21,6)30-23/h7-10,16-23,26-29H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1