| SpectraBase Compound ID | 4cWhOexqQO9 |
|---|---|
| InChI | InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22?,25?,29+,30-,31+,32?/m1/s1 |
| InChIKey | IXQKXEUSCPEQRD-NWIFFOLWSA-N |
| Mol Weight | 558.7 g/mol |
| Molecular Formula | C32H46O8 |
| Exact Mass | 558.319268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ekk4QEAtAHg |
|---|---|
| Name | CUCURBITACIN-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46O8 |
| InChI | InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22?,25?,29+,30-,31+,32?/m1/s1 |
| InChIKey | IXQKXEUSCPEQRD-NWIFFOLWSA-N |
| Literature Reference Author | H.JACOBS,T.SINGH,W.F.REYNOLDS,S.MCLEAN |
| Literature Reference Citation | J.NAT.PROD.,53,1600(1990) |
| Literature Reference DOI | 10.1021/np50072a037 |
| Molecular Weight | 558.712 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE2019 |