![28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXYPHENYL)-PROPIONYLOXY]-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/KYQJZbBVXSm/structure.png?h=300&w=458 "28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXYPHENYL)-PROPIONYLOXY]-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | A9mnUGqfsNX |
|---|---|
| InChI | InChI=1S/C50H74O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-9,11-13,29-35,37-43,51-55,57-59H,10,14-25H2,1-7H3/t29?,30-,31+,32?,33?,34-,35+,37+,38-,39+,40-,41+,42-,43-,47-,48+,49+,50+/m0/s1 |
| InChIKey | CCLLWPLSBGBSKT-ACILUEIGSA-N |
| Mol Weight | 915.1 g/mol |
| Molecular Formula | C50H74O15 |
| Exact Mass | 914.502772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYQJZbBVXSm |
|---|---|
| Name | 28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXYPHENYL)-PROPIONYLOXY]-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H74O15 |
| InChI | InChI=1S/C50H74O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-9,11-13,29-35,37-43,51-55,57-59H,10,14-25H2,1-7H3/t29?,30-,31+,32?,33?,34-,35+,37+,38-,39+,40-,41+,42-,43-,47-,48+,49+,50+/m0/s1 |
| InChIKey | CCLLWPLSBGBSKT-ACILUEIGSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 915.129 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1032 |