![ANGUIVIOSIDE-B;3-O-[4-O-MALONYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYL-(25R,26R)-SPIROST-5-EN-3-B](/api/spectrum/4gjkSVtcjcv/structure.png?h=300&w=458 "ANGUIVIOSIDE-B;3-O-[4-O-MALONYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYL-(25R,26R)-SPIROST-5-EN-3-B")
| SpectraBase Compound ID | Bgt7g15Ksx2 |
|---|---|
| InChI | InChI=1S/C48H74O20/c1-19-9-14-48(68-42(19)59)20(2)32-28(67-48)16-27-25-8-7-23-15-24(10-12-46(23,5)26(25)11-13-47(27,32)6)62-45-41(66-44-37(57)35(55)39(22(4)61-44)64-31(52)17-30(50)51)38(58)40(29(18-49)63-45)65-43-36(56)34(54)33(53)21(3)60-43/h7,19-22,24-29,32-45,49,53-59H,8-18H2,1-6H3,(H,50,51)/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,32-,33-,34+,35-,36+,37+,38-,39-,40+,41+,42?,43-,44-,45+,46-,47-,48?/m0/s1 |
| InChIKey | RIJBKIQUODTRPB-ITUXRTDPSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C48H74O20 |
| Exact Mass | 970.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gjkSVtcjcv |
|---|---|
| Name | ANGUIVIOSIDE-B;3-O-[4-O-MALONYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYL-(25R,26R)-SPIROST-5-EN-3-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O20 |
| InChI | InChI=1S/C48H74O20/c1-19-9-14-48(68-42(19)59)20(2)32-28(67-48)16-27-25-8-7-23-15-24(10-12-46(23,5)26(25)11-13-47(27,32)6)62-45-41(66-44-37(57)35(55)39(22(4)61-44)64-31(52)17-30(50)51)38(58)40(29(18-49)63-45)65-43-36(56)34(54)33(53)21(3)60-43/h7,19-22,24-29,32-45,49,53-59H,8-18H2,1-6H3,(H,50,51)/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,32-,33-,34+,35-,36+,37+,38-,39-,40+,41+,42?,43-,44-,45+,46-,47-,48?/m0/s1 |
| InChIKey | RIJBKIQUODTRPB-ITUXRTDPSA-N |
| Literature Reference Author | X.H.ZHU,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,568(2000) |
| Literature Reference DOI | 10.1248/cpb.48.568 |
| Molecular Weight | 971.104 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5082 |