![3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL)-OXY]-5-ALPHA,14-BETA,17-BETA-TRIHYDROXY-CARD-20(22)-ENOLIDE](/api/spectrum/HBSiCS5BRvY/structure.png?h=300&w=458 "3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL)-OXY]-5-ALPHA,14-BETA,17-BETA-TRIHYDROXY-CARD-20(22)-ENOLIDE")
| SpectraBase Compound ID | DRvUqn3SMq |
|---|---|
| InChI | InChI=1S/C35H54O16/c1-31-6-3-17(48-29-27(43)25(41)28(21(14-37)50-29)51-30-26(42)24(40)23(39)20(13-36)49-30)12-33(31,44)8-5-19-18(31)4-7-32(2)34(45,9-10-35(19,32)46)16-11-22(38)47-15-16/h11,17-21,23-30,36-37,39-46H,3-10,12-15H2,1-2H3/t17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1 |
| InChIKey | QQRBUOLBCUXKQN-CLSTXCGHSA-N |
| Mol Weight | 730.8 g/mol |
| Molecular Formula | C35H54O16 |
| Exact Mass | 730.341186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBSiCS5BRvY |
|---|---|
| Name | 3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL)-OXY]-5-ALPHA,14-BETA,17-BETA-TRIHYDROXY-CARD-20(22)-ENOLIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O16 |
| InChI | InChI=1S/C35H54O16/c1-31-6-3-17(48-29-27(43)25(41)28(21(14-37)50-29)51-30-26(42)24(40)23(39)20(13-36)49-30)12-33(31,44)8-5-19-18(31)4-7-32(2)34(45,9-10-35(19,32)46)16-11-22(38)47-15-16/h11,17-21,23-30,36-37,39-46H,3-10,12-15H2,1-2H3/t17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1 |
| InChIKey | QQRBUOLBCUXKQN-CLSTXCGHSA-N |
| Literature Reference Author | S.KUBO,M.KUROTA,Y.MATSUO,D.MASATANI,H.SAKAGAMI,Y.MIMAKI |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,1275(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00489 |
| Molecular Weight | 730.804 g/mol |
| Source File Reference | UWBT4530 |