| 2D Structure | |
| CID | 441870 |
| IUPAC Name | 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one |
| InChI | InChI=1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17-,20-,21+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1 |
| InChI Key | NXJOCELNFPGKIV-ARHXXGKOSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C36H52O13 |
| Molecular Weight | 692.8 |
| synonyms | ['SCILLAREN A', 'Transvaalin', '124-99-2', 'Glucoproscillaridin A', 'H92KP5H7C6', 'Scillarenin 3-O-glucosylrhamnoside', 'CHEBI:27831', 'NSC-7525', '3-O-(4-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranosyl)-3beta,14beta-dihydroxybufa-4,20,22-trienolide', '5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one', '5-((3S,8R,9S,10R,13R,14S,17R)-3-((2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta(a)phenanthren-17-yl)pyran-2-one', 'RefChem:181882', '204-721-3', '3 beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-bufa-4, 20,22-trienolide', 'BUFA-4,20,22-TRIENOLIDE, 3-((6-DEOXY-4-O-BETA-D-GLUCOPYRANOSYL-ALPHA-L-MANNOPYRANOSYL)OXY)-14-HYDROXY-, (3BETA)-', 'Scillaglykosid A', '3beta-(6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyloxy)-14-hydroxybufa-4,20,22-trienolide', 'Scillaglykosid A [German]', 'UNII-H92KP5H7C6', 'Scillaren + rhamnose + glucose', 'NSC 7525', 'EINECS 204-721-3', 'BRN 0076216', 'Scillaren + rhamnose + glucose [German]', 'SCILLAREN A [MI]', 'C08879', '4-18-00-01659 (Beilstein Handbook Reference)', 'orb1695247', 'SCHEMBL1153233', 'CHEMBL1697772', 'NXJOCELNFPGKIV-ARHXXGKOSA-N', '14-beta-Hydroxy-3-beta-scillobiosidobufa-4,20,22-trienolide', '3-beta-Scillobiosido-14-beta-hydroxy-delta-4,20,22-bufatrienolid', '3-beta-Scillobiosido-14-beta-hydroxy-delta-4,20,22-bufatrienolid [German]', 'AKOS040753985', 'Mannopyranoside, scillarenin-3 6-deoxy-4-O-beta-D-glucopyranosyl-, alpha-L-', 'Scillaren A, >=90% (LC/MS-ELSD)', 'XS161356', 'Q27103365', '(3.BETA.)-3-((6-DEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-.ALPHA.-L-MANNOPYRANOSYL)OXY)-14-HYDROXYBUFA-4,20,22-TRIENOLIDE', '3beta-((6-Deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-bufa-4,20,22-trienolide', 'BUFA-4,20,22-TRIENOLIDE, 3-((6-DEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-.ALPHA.-L-MANNOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.)-', 'Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-'] |
From Pubchem