| SpectraBase Compound ID | IUoHNNEWRQW |
|---|---|
| InChI | InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26-,28+,29?,32+,33-,34+,35+/m0/s1 |
| InChIKey | LEZNRZJCVJRZHO-JISWJPRBSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C35H56O6 |
| Exact Mass | 572.40769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10YEik7cCgf |
|---|---|
| Name | 3-EPI-SKIMMIAREPIN-A;21,23:24,25-DIEPOXY-3-O-ISOVALEROYL-14,18-CYCLOAPOTIRUCALLA-3-BETA,7-ALPHA,21-TRIOL;MAJOR-COMPONENT |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O6 |
| InChI | InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26-,28+,29?,32+,33-,34+,35+/m0/s1 |
| InChIKey | LEZNRZJCVJRZHO-JISWJPRBSA-N |
| Literature Reference Author | C.KAMPERDICK,T.P.LIEN,G.ADAM,T.V.SUNG |
| Literature Reference Citation | J.NAT.PROD.,66,675(2003) |
| Literature Reference DOI | 10.1021/np020458+ |
| Molecular Weight | 572.826 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7765 |