![3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA,21-BETA-TETRAHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID](/api/spectrum/IEZIsQBklWS/structure.png?h=300&w=458 "3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA,21-BETA-TETRAHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID")
| SpectraBase Compound ID | tqSA66q8g |
|---|---|
| InChI | InChI=1S/C41H64O17/c1-36(2)11-18-17-7-8-22-37(3)12-19(43)31(58-33-29(50)27(48)30(21(15-42)56-33)57-32-28(49)26(47)20(44)16-55-32)40(6,34(51)52)23(37)9-10-38(22,4)39(17,5)13-25(46)41(18,35(53)54)14-24(36)45/h7,18-33,42-50H,8-16H2,1-6H3,(H,51,52)(H,53,54)/t18?,19-,20-,21+,22?,23?,24-,25+,26+,27+,28-,29+,30+,31-,32+,33-,37+,38+,39+,40-,41+/m0/s1 |
| InChIKey | KIHMNKKUGPSTPI-XKMXFHLHSA-N |
| Mol Weight | 828.9 g/mol |
| Molecular Formula | C41H64O17 |
| Exact Mass | 828.414351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEZIsQBklWS |
|---|---|
| Name | 3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA,21-BETA-TETRAHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O17 |
| InChI | InChI=1S/C41H64O17/c1-36(2)11-18-17-7-8-22-37(3)12-19(43)31(58-33-29(50)27(48)30(21(15-42)56-33)57-32-28(49)26(47)20(44)16-55-32)40(6,34(51)52)23(37)9-10-38(22,4)39(17,5)13-25(46)41(18,35(53)54)14-24(36)45/h7,18-33,42-50H,8-16H2,1-6H3,(H,51,52)(H,53,54)/t18?,19-,20-,21+,22?,23?,24-,25+,26+,27+,28-,29+,30+,31-,32+,33-,37+,38+,39+,40-,41+/m0/s1 |
| InChIKey | KIHMNKKUGPSTPI-XKMXFHLHSA-N |
| Literature Reference Author | K.SAKAI,T.NAGAO,H.OKABE |
| Literature Reference Citation | PHYTOCHEM.,51,309(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00766-3 |
| Molecular Weight | 828.949 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC288 |