| 2D Structure | |
| CID | 16118969 |
| IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| InChI | InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31+,32+,33-,34-,35-,36+/m1/s1 |
| InChI Key | WKKBYJLXSKPKSC-JVJIQXRHSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C36H58O11 |
| Molecular Weight | 666.8 |
| synonyms | ['Niga-ichigoside F1', '95262-48-9', 'Dotorioside II', 'RefChem:920636', 'nigaichigoside F1', 'Urs-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, beta-D-glucopyranosyl ester, (2alpha,3beta,4alpha)-', '19alpha-hydroxyasiatic acid-28-O-beta-D-glucopyrannoside', '[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate', 'nigaichigoside', 'niga-ichigosode F1', 'CHEMBL449365', 'orb2943139', 'SCHEMBL29410801', 'SCHEMBL29410803', 'CHEBI:67917', 'HY-N8144', 'AKOS040760595', 'MS-31042', 'CS-0140199', 'E88644', '19|A-Hydroxyasiatic acid 28-O-|A-D-glucopyranoside', 'Q27136391', '19alpha-Hydroxyasiatic acid 28-O-beta-D-glucopyranoside', '23-hydroxytormentic acid 28-O-[beta-D-glucopyranosyl]ester', '1-O-[(2alpha,3beta)-2,3,19,23-Tetrahydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose', '[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate', 'Urs-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, |A-D-glucopyranosyl ester, (2|A,3|A,4|A)-'] |
From Pubchem