![3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID](/api/spectrum/e77QEsbY0h/structure.png?h=300&w=458 "3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID")
| SpectraBase Compound ID | K3zzhIGT9TF |
|---|---|
| InChI | InChI=1S/C41H64O16/c1-36(2)13-14-41(35(51)52)19(15-36)18-7-8-21-37(3)11-10-24(40(6,53)22(37)9-12-38(21,4)39(18,5)16-23(41)43)55-34-31(28(47)27(46)30(56-34)32(49)50)57-33-29(48)26(45)25(44)20(17-42)54-33/h7,19-31,33-34,42-48,53H,8-17H2,1-6H3,(H,49,50)(H,51,52)/t19?,20-,21?,22?,23-,24+,25+,26+,27+,28+,29-,30+,31-,33+,34-,37-,38-,39-,40+,41-/m1/s1 |
| InChIKey | BLAOWYPSWHVHOA-BYUHVIJWSA-N |
| Mol Weight | 812.9 g/mol |
| Molecular Formula | C41H64O16 |
| Exact Mass | 812.419436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | e77QEsbY0h |
|---|---|
| Name | 3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O16 |
| InChI | InChI=1S/C41H64O16/c1-36(2)13-14-41(35(51)52)19(15-36)18-7-8-21-37(3)11-10-24(40(6,53)22(37)9-12-38(21,4)39(18,5)16-23(41)43)55-34-31(28(47)27(46)30(56-34)32(49)50)57-33-29(48)26(45)25(44)20(17-42)54-33/h7,19-31,33-34,42-48,53H,8-17H2,1-6H3,(H,49,50)(H,51,52)/t19?,20-,21?,22?,23-,24+,25+,26+,27+,28+,29-,30+,31-,33+,34-,37-,38-,39-,40+,41-/m1/s1 |
| InChIKey | BLAOWYPSWHVHOA-BYUHVIJWSA-N |
| Literature Reference Author | Z.JIA,K.KOIKE,M.KUDO,H.LI,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,48,529(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01128-X |
| Molecular Weight | 812.950 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1073 |