| SpectraBase Spectrum ID |
8oQQQxqeuWH |
| Name |
(2S)-2-methyl-2-(4'-methyl-3'-pentenyl)-8-(3''-methyl-2''-butenyl)-2H-1-benzopyran-6-carboxylic acid] |
| Appearance |
amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O3 |
| InChI |
InChI=1S/C22H28O3/c1-15(2)7-6-11-22(5)12-10-18-14-19(21(23)24)13-17(20(18)25-22)9-8-16(3)4/h7-8,10,12-14H,6,9,11H2,1-5H3,(H,23,24)/t22-/m0/s1 |
| InChIKey |
TXHBNVYFCZMCPB-QFIPXVFZSA-N |
| Instrument Name |
HP 5990/5988A & VG Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030530j |
| Molecular Weight |
340.463 g/mol |
| Optical Rotation |
[a]D25 = +21.0 (c = 0.1, CHCl3) |
| SMILES |
OC(c1cc(CC=C(C)C)c2O[C@@](C)(CCC=C(C)C)C=Cc2c1)=O |
| SPLASH |
splash10-0a4i-2094000000-0fe0194b02f0d91329ef |
| Source of Spectrum |
G4-67-1787-20 |
| Synonyms |
Gaudichaudianic acid |
| Wiley ID |
1881571 |
