| SpectraBase Spectrum ID |
31z6Yjbx8MV |
| Name |
3-[[(3R,3aR,5aS,6R,7S,9aS,9bR)-3,3a,6,7,9a-pentamethyl-3-methylol-2,4,5,5a,7,8,9,9b-octahydro-1H-benz[e]inden-6-yl]methyl]-4-hydroxy-benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O4 |
| InChI |
InChI=1S/C27H40O4/c1-17-8-12-25(3)21(10-13-27(5)22(25)9-11-24(27,2)16-28)26(17,4)15-19-14-18(23(30)31)6-7-20(19)29/h6-7,14,17,21-22,28-29H,8-13,15-16H2,1-5H3,(H,30,31)/t17-,21+,22+,24-,25-,26+,27+/m0/s1 |
| InChIKey |
GADPAHOVYVZUKK-KSZKXVESSA-N |
| Molecular Weight |
428.613 g/mol |
| SMILES |
OC(c1cc(c(cc1)O)C[C@]1([C@]2([C@@]([C@@]3([C@]([C@@](CO)(C)CC3)(CC2)C)[H])(CC[C@@]1(C)[H])C)[H])C)=O |
| SPLASH |
splash10-0kdi-0490000000-ef68f5c0b798fb618138 |
| Source of Spectrum |
G4-63-341-1 |
| Synonyms |
3-[[(3R,3aR,5aS,6R,7S,9aS,9bR)-3-(hydroxymethyl)-3,3a,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl]-4-hydroxy-benzoic acid
3-[[(3R,3aR,5aS,6R,7S,9aS,9bR)-3-(hydroxymethyl)-3,3a,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl]-4-oxidanyl-benzoic acid |
| Wiley ID |
1608248 |
![3-[[(3R,3aR,5aS,6R,7S,9aS,9bR)-3,3a,6,7,9a-pentamethyl-3-methylol-2,4,5,5a,7,8,9,9b-octahydro-1H-benz[e]inden-6-yl]methyl]-4-hydroxy-benzoic acid](/api/spectrum/31z6Yjbx8MV/structure.png?h=300&w=458 "3-[[(3R,3aR,5aS,6R,7S,9aS,9bR)-3,3a,6,7,9a-pentamethyl-3-methylol-2,4,5,5a,7,8,9,9b-octahydro-1H-benz[e]inden-6-yl]methyl]-4-hydroxy-benzoic acid")
