| SpectraBase Spectrum ID |
B2RNsEzYOgb |
| Name |
2-[(3R,3aR,5aS,6S,7S,9aR,9bS)-6-(carboxymethyl)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-benz[e]inden-7-yl]acetic acid |
| CAS Registry Number |
1908-27-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O4 |
| InChI |
InChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19(15-24(28)29)27(5,16-25(30)31)23(20)13-14-26(21,22)4/h17-23H,6-16H2,1-5H3,(H,28,29)(H,30,31)/t18-,19+,20+,21-,22+,23+,26-,27+/m1/s1 |
| InChIKey |
XFNNOYZRMDYVIS-XPFWUWIUSA-N |
| Molecular Weight |
434.661 g/mol |
| SMILES |
OC(C[C@]1([C@](CC(=O)O)(CC[C@]2([C@]3([C@](CC[C@]12[H])([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])C)=O |
| SPLASH |
splash10-00di-0009000000-aab72db2c1f50c5c5b10 |
| Source of Spectrum |
KC-1990-1243-14 |
| Synonyms |
2-[(3R,3aR,5aS,6S,7S,9aR,9bS)-6-(carboxymethyl)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetic acid
2-[(3R,3aR,5aS,6S,7S,9aR,9bS)-6-(carboxymethyl)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetic acid |
| Wiley ID |
1383089 |
![2-[(3R,3aR,5aS,6S,7S,9aR,9bS)-6-(carboxymethyl)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-benz[e]inden-7-yl]acetic acid](/api/spectrum/B2RNsEzYOgb/structure.png?h=300&w=458 "2-[(3R,3aR,5aS,6S,7S,9aR,9bS)-6-(carboxymethyl)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-benz[e]inden-7-yl]acetic acid")
