| SpectraBase Compound ID | 1f9cvdItCbS |
|---|---|
| InChI | InChI=1S/C33H52O9/c1-18(2)22-15-25(35)32(8)23-11-10-21(20-14-27(42-19(3)34)33(39,41-17-20)29(4,5)38)30(23,6)13-12-24(32)31(22,7)26(36)16-28(37)40-9/h11,20-22,24-27,35-36,38-39H,1,10,12-17H2,2-9H3/t20?,21-,22-,24?,25+,26?,27+,30-,31-,32-,33?/m0/s1 |
| InChIKey | VDZOAKVFCQHFIH-RDANIHKBSA-N |
| Mol Weight | 592.8 g/mol |
| Molecular Formula | C33H52O9 |
| Exact Mass | 592.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XuEbWJQavK |
|---|---|
| Name | METHYL-1(S),23(R)-DIACETOXY-7(R),24-ZETA,25-TRIHYDROXY-(20S)-21,24-EPOXY-3,4-SECO-APOTIRUCALLA-4(28),14(15)-DIEN-3-OATE;ISOMER-2 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O9 |
| InChI | InChI=1S/C33H52O9/c1-18(2)22-15-25(35)32(8)23-11-10-21(20-14-27(42-19(3)34)33(39,41-17-20)29(4,5)38)30(23,6)13-12-24(32)31(22,7)26(36)16-28(37)40-9/h11,20-22,24-27,35-36,38-39H,1,10,12-17H2,2-9H3/t20?,21-,22-,24?,25+,26?,27+,30-,31-,32-,33?/m0/s1 |
| InChIKey | VDZOAKVFCQHFIH-RDANIHKBSA-N |
| Literature Reference Author | A.A.L.GUNATILAKA,V.D.S.BOLZANI,E.DAGNE,G.A.HOFMANN,R.K.JOHNS ON,F.L.MCCABE,M.R.MA |
| Literature Reference Citation | J.NAT.PROD.,61,179(1998) |
| Literature Reference DOI | 10.1021/np9701687 |
| Molecular Weight | 592.770 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP348 |