| SpectraBase Compound ID | HYw66YjvBd |
|---|---|
| InChI | InChI=1S/C42H64O15/c1-18-28(47)31(50)33(56-35-32(51)30(49)29(48)22(17-43)54-35)36(53-18)55-26-13-11-20-19(37(26,2)3)10-12-23-39(6)15-21(44)34(40(39,7)16-25(46)41(20,23)8)42(9)24(45)14-27(57-42)38(4,5)52/h10,14,18,20-23,26,28-36,43-44,47-52H,11-13,15-17H2,1-9H3/t18-,20?,21+,22+,23?,26+,28-,29+,30-,31+,32+,33+,34-,35-,36+,39-,40+,41-,42+/m0/s1 |
| InChIKey | OUYNNSYLWQRNAB-CLVRDSCWSA-N |
| Mol Weight | 809.0 g/mol |
| Molecular Formula | C42H64O15 |
| Exact Mass | 808.424521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xrW49jNYYh |
|---|---|
| Name | PICFELTARRAENIN-III;11,22-DIOXO-3-ALPHA,16-ALPHA,25-TRIHYDROXY-(20S,24)-EPOXYCUCURBIT-5,23-DIENE-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSIDE;COMPOU |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O15 |
| InChI | InChI=1S/C42H64O15/c1-18-28(47)31(50)33(56-35-32(51)30(49)29(48)22(17-43)54-35)36(53-18)55-26-13-11-20-19(37(26,2)3)10-12-23-39(6)15-21(44)34(40(39,7)16-25(46)41(20,23)8)42(9)24(45)14-27(57-42)38(4,5)52/h10,14,18,20-23,26,28-36,43-44,47-52H,11-13,15-17H2,1-9H3/t18-,20?,21+,22+,23?,26+,28-,29+,30-,31+,32+,33+,34-,35-,36+,39-,40+,41-,42+/m0/s1 |
| InChIKey | OUYNNSYLWQRNAB-CLVRDSCWSA-N |
| Literature Reference Author | L.HU,Z.CHEN,Y.XIE |
| Literature Reference Citation | J.NAT.PROD.,59,1186(1996) |
| Literature Reference DOI | 10.1021/np9604442 |
| Molecular Weight | 808.961 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWKP60 |