![3-BETA-HYDROXYURS-12-EN-28-OIC-ACID-3-O-[BETA-D-GALACTOPYRANOSYL-(1->2')]-BETA-D-GLUCURONOPYRANOSIDE](/api/spectrum/1jcrNEJDY04/structure.png?h=300&w=458 "3-BETA-HYDROXYURS-12-EN-28-OIC-ACID-3-O-[BETA-D-GALACTOPYRANOSYL-(1->2')]-BETA-D-GLUCURONOPYRANOSIDE")
| SpectraBase Compound ID | AU18TFUs9nT |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-19-10-15-42(37(51)52)17-16-40(6)21(26(42)20(19)2)8-9-24-39(5)13-12-25(38(3,4)23(39)11-14-41(24,40)7)54-36-33(30(47)29(46)32(55-36)34(49)50)56-35-31(48)28(45)27(44)22(18-43)53-35/h8,19-20,22-33,35-36,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,22-,23+,24-,25+,26+,27+,28+,29+,30+,31-,32+,33-,35+,36-,39+,40-,41-,42+/m1/s1 |
| InChIKey | YEJAZBNILREKCJ-PCXMKMMHSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jcrNEJDY04 |
|---|---|
| Name | 3-BETA-HYDROXYURS-12-EN-28-OIC-ACID-3-O-[BETA-D-GALACTOPYRANOSYL-(1->2')]-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-19-10-15-42(37(51)52)17-16-40(6)21(26(42)20(19)2)8-9-24-39(5)13-12-25(38(3,4)23(39)11-14-41(24,40)7)54-36-33(30(47)29(46)32(55-36)34(49)50)56-35-31(48)28(45)27(44)22(18-43)53-35/h8,19-20,22-33,35-36,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,22-,23+,24-,25+,26+,27+,28+,29+,30+,31-,32+,33-,35+,36-,39+,40-,41-,42+/m1/s1 |
| InChIKey | YEJAZBNILREKCJ-PCXMKMMHSA-N |
| Literature Reference Author | A.S.WANAS,K.MATSUNAMI,H.OTSUKA,S.Y.DESOUKEY,M.A.FOUAD,M.S.KA MEL |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,1596(2010) |
| Literature Reference DOI | 10.1248/cpb.58.1596 |
| Molecular Weight | 794.978 g/mol |
| Source File Reference | UWBT3985 |