![INDIOSIDE_H;3-O-[ALPHA-L-RHAMNOPYRANOSIDE-(1->2)-BETA-D-GLUCOPYRANOSYL]-(22-S,25-S)-SPIROST-5-EN-3-BETA-OL](/api/spectrum/BOd3Uaue1nG/structure.png?h=300&w=458 "INDIOSIDE_H;3-O-[ALPHA-L-RHAMNOPYRANOSIDE-(1->2)-BETA-D-GLUCOPYRANOSYL]-(22-S,25-S)-SPIROST-5-EN-3-BETA-OL")
| SpectraBase Compound ID | 6roTTtKsYJa |
|---|---|
| InChI | InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1 |
| InChIKey | HDXIQHTUNGFJIC-QGNVFQJYSA-N |
| Mol Weight | 722.9 g/mol |
| Molecular Formula | C39H62O12 |
| Exact Mass | 722.424127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOd3Uaue1nG |
|---|---|
| Name | INDIOSIDE_H;3-O-[ALPHA-L-RHAMNOPYRANOSIDE-(1->2)-BETA-D-GLUCOPYRANOSYL]-(22-S,25-S)-SPIROST-5-EN-3-BETA-OL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H62O12 |
| InChI | InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1 |
| InChIKey | HDXIQHTUNGFJIC-QGNVFQJYSA-N |
| Literature Reference Author | C.T.YEN,C.L.LEE,F.R.CHANG,T.L.HWANG,H.F.YEN,C.J.CHEN,S.L.CHE N,Y.C.WU |
| Literature Reference Citation | J.NAT.PROD.,75,636(2012) |
| Literature Reference DOI | 10.1021/np200877u |
| Molecular Weight | 722.914 g/mol |
| Sample ID | 40257 |
| Solvent | C5D5N |