| SpectraBase Spectrum ID |
1AzPAy57h1g |
| Name |
(6aS,9R,10R,10aS)-1-Methoxy-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]-chromene-9,10-dicarboxylic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H32O6 |
| InChI |
InChI=1S/C23H32O6/c1-5-6-7-8-13-11-16(28-4)20-17(12-13)29-23(2,3)15-10-9-14(21(24)25)18(19(15)20)22(26)27/h11-12,14-15,18-19H,5-10H2,1-4H3,(H,24,25)(H,26,27)/t14-,15+,18+,19+/m1/s1 |
| InChIKey |
CWMMCYODHKOCJU-PDWMJMLSSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/open.202000343 |
| Molecular Weight |
404.503 g/mol |
| Reported Formula |
C23H32O6 |
| SMILES |
OC([C@]1([C@](C(=O)O)([C@@]2([C@](CC1)(C(Oc1c2c(cc(c1)CCCCC)OC)(C)C)[H])[H])[H])[H])=O |
| SPLASH |
splash10-00xr-5009000000-16402f95141098603eec |
| Source of Spectrum |
CHO-10-SM35-31 |
| Wiley ID |
1865943 |
![(6aS,9R,10R,10aS)-1-Methoxy-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]-chromene-9,10-dicarboxylic acid](/api/spectrum/1AzPAy57h1g/structure.png?h=300&w=458 "(6aS,9R,10R,10aS)-1-Methoxy-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]-chromene-9,10-dicarboxylic acid")
