sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-trihydroxyphenyl] sulfate
Compound with spectra: 1 NMR
![sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-trihydroxyphenyl] sulfate](/api/compound/2LrI6mzPVhc.png?ph=true&h=300&w=458 "sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-trihydroxyphenyl] sulfate")
| SpectraBase Compound ID | 2LrI6mzPVhc |
|---|---|
| InChI | InChI=1S/C21H30O7S.Na/c1-12-6-7-17-20(2,3)8-5-9-21(17,4)14(12)10-13-18(23)15(22)11-16(19(13)24)28-29(25,26)27;/h6,11,14,17,22-24H,5,7-10H2,1-4H3,(H,25,26,27);/q;+1/p-1/t14?,17?,21-;/m1./s1 |
| InChIKey | DBGGQVSZBSPTBA-BTPWFVFRSA-M |
| Mol Weight | 448.51 g/mol |
| Molecular Formula | C21H29NaO7S |
| Exact Mass | 448.153169 g/mol |
| Parent InChIKey | FSCNWLOPXBALPS-KDDGLUCOSA-M |
| Enantiomer InChIKey | DBGGQVSZBSPTBA-CJGCWGEJSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4,5-dihydroxy-benzoic acid methyl ester
NRCWDIHJNWCNBP-MCSCQSGASA-N
3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-acetoxy-benzoic acid methyl ester
17,20-DI-O-ACETYL-ENT-ISOZONAROL
JASPIC-ACID
LABD-7-EN-15,18-DIOIC-ACID-DIMETHYLESTER
8,17H-7,8-DEHYDROPINIFOLIC ACID
(12S)-12,16-Diacetoxylabda-7,13-dien-15,16-olide
(12R)-12,16-Diacetoxylabda-7,13-dien-15,16-olide
(12S)-12-Acetoxy-15-hydroxylabda-7,13-dien-16,15-olide
| Title | Journal or Book | Year |
|---|---|---|
| New Sesquiterpene Quinols from a Micronesian Sponge, Aka sp. | Journal of Natural Products | 2003 |