| SpectraBase Compound ID | Dr1hBNuCyke |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-19(2)20-10-15-42(37(52)56-35-31(48)28(45)27(44)22(18-43)53-35)17-16-40(6)21(26(20)42)8-9-24-39(5)13-12-25(38(3,4)23(39)11-14-41(24,40)7)54-36-32(49)29(46)30(47)33(55-36)34(50)51/h20-33,35-36,43-49H,1,8-18H2,2-7H3,(H,50,51)/t20-,21+,22+,23-,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,35-,36+,39-,40+,41+,42-/m0/s1 |
| InChIKey | NFCZZTOIVGTNPG-JZPNQEQKSA-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 | 3gYcCEEcuYC |
|---|---|
| Name | RYOBUSAPONIN-E;3-BETA-O-(BETA-D-GLUCOPYRANOSYLOXY)-LUP-20(29)-EN-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-19(2)20-10-15-42(37(52)56-35-31(48)28(45)27(44)22(18-43)53-35)17-16-40(6)21(26(20)42)8-9-24-39(5)13-12-25(38(3,4)23(39)11-14-41(24,40)7)54-36-32(49)29(46)30(47)33(55-36)34(50)51/h20-33,35-36,43-49H,1,8-18H2,2-7H3,(H,50,51)/t20-,21+,22+,23-,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,35-,36+,39-,40+,41+,42-/m0/s1 |
| InChIKey | NFCZZTOIVGTNPG-JZPNQEQKSA-N |
| Literature Reference Author | T.MURATA,A.SUYUKI,N.MAFUNE,E.SATO,T.MIYASE,F.YOSHIZAKI |
| Literature Reference Citation | CHEM.PHARM.BULL.,61,134(2013) |
| Literature Reference DOI | 10.1248/cpb.c12-00566 |
| Molecular Weight | 794.978 g/mol |
| Source File Reference | UWBT4844 |