| SpectraBase Compound ID | aH4NLN3WFD |
|---|---|
| InChI | InChI=1S/C30H45ClO9/c1-12-16(3)26(33)37-21(15-23-28(7,8)40-29(9,10)39-23)18(5)20-14-22(31)30(11,35)25(36-19(6)32)24(20)38-27(34)17(4)13-2/h12-13,20-25,35H,5,14-15H2,1-4,6-11H3/b16-12+,17-13+/t20-,21-,22+,23-,24+,25+,30-/m1/s1 |
| InChIKey | JIHYOJNHWUMSKV-SUTYGHQWSA-N |
| Mol Weight | 585.1 g/mol |
| Molecular Formula | C30H45ClO9 |
| Exact Mass | 584.275211 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FumGTGGyRvw |
|---|---|
| Name | 2-BETA-ACETOXY-4-ALPHA-CHLORO-1-BETA,8-DIANGELOYLOXY-3-BETA-HYDROXY-10,11-ISOPROPOXYBISABOL-7(14)-ENE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H45ClO9 |
| InChI | InChI=1S/C30H45ClO9/c1-12-16(3)26(33)37-21(15-23-28(7,8)40-29(9,10)39-23)18(5)20-14-22(31)30(11,35)25(36-19(6)32)24(20)38-27(34)17(4)13-2/h12-13,20-25,35H,5,14-15H2,1-4,6-11H3/b16-12+,17-13+/t20-,21-,22+,23-,24+,25+,30-/m1/s1 |
| InChIKey | JIHYOJNHWUMSKV-SUTYGHQWSA-N |
| Literature Reference Author | Y.ZHU,L.YANG,Z.J.JIA |
| Literature Reference Citation | J.NAT.PROD.,62,1479(1999) |
| Literature Reference DOI | 10.1021/np990044p |
| Molecular Weight | 585.135 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS21576 |