| SpectraBase Spectrum ID |
4tQO700JNz6 |
| Name |
Scoparic acid A |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O5 |
| InChI |
InChI=1S/C27H36O5/c1-18(13-16-28)11-12-21-19(2)17-22(32-24(29)20-9-6-5-7-10-20)23-26(21,3)14-8-15-27(23,4)25(30)31/h5-7,9-10,13,21-23,28H,2,8,11-12,14-17H2,1,3-4H3,(H,30,31)/b18-13+/t21-,22-,23?,26-,27-/m1/s1 |
| InChIKey |
GIQOHSBJFWWSAH-XBKWZMHJSA-N |
| Molecular Weight |
440.580 g/mol |
| SMILES |
OC([C@]1(C2[C@@]([C@](CC\C(=C\CO)C)(C(C[C@]2(OC(=O)c2ccccc2)[H])=C)[H])(CCC1)C)C)=O |
| SPLASH |
splash10-0adi-3900000000-c12d19cc98be44fa156c |
| Source of Spectrum |
X2-55-1753-1 |
| Synonyms |
(1R,4aR,5R,8R)-8-benzoyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
(1R,4aR,5R,8R)-8-benzoyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
(1R,4aR,5R,8R)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-oxidanyl-pent-3-enyl]-8-(phenylcarbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid |
| Wiley ID |
1604667 |
