![3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL)-OXY]-PREGNA-5,16](/api/spectrum/70OeJu221B0/structure.png?h=300&w=458 "3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL)-OXY]-PREGNA-5,16")
| SpectraBase Compound ID | GHqoKXpvXYr |
|---|---|
| InChI | InChI=1S/C45H70O20/c1-17(48)23-8-9-24-22-7-6-20-14-21(10-12-44(20,4)25(22)11-13-45(23,24)5)60-43-39(65-40-34(55)31(52)28(49)18(2)58-40)38(30(51)27(16-47)62-43)64-41-36(57)33(54)37(19(3)59-41)63-42-35(56)32(53)29(50)26(15-46)61-42/h6,8,18-19,21-22,24-43,46-47,49-57H,7,9-16H2,1-5H3/t18-,19+,21+,22+,24+,25+,26+,27-,28-,29+,30-,31+,32-,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45-/m1/s1 |
| InChIKey | RHIHSDUDMFNGPU-PTVUZQCBSA-N |
| Mol Weight | 931.0 g/mol |
| Molecular Formula | C45H70O20 |
| Exact Mass | 930.446045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70OeJu221B0 |
|---|---|
| Name | 3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL)-OXY]-PREGNA-5,16 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O20 |
| InChI | InChI=1S/C45H70O20/c1-17(48)23-8-9-24-22-7-6-20-14-21(10-12-44(20,4)25(22)11-13-45(23,24)5)60-43-39(65-40-34(55)31(52)28(49)18(2)58-40)38(30(51)27(16-47)62-43)64-41-36(57)33(54)37(19(3)59-41)63-42-35(56)32(53)29(50)26(15-46)61-42/h6,8,18-19,21-22,24-43,46-47,49-57H,7,9-16H2,1-5H3/t18-,19+,21+,22+,24+,25+,26+,27-,28-,29+,30-,31+,32-,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45-/m1/s1 |
| InChIKey | RHIHSDUDMFNGPU-PTVUZQCBSA-N |
| Literature Reference Author | A.YOKOSUKA,Y.MIMAKI,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,65,1293(2002) |
| Literature Reference DOI | 10.1021/np020094l |
| Molecular Weight | 931.039 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI5195 |