| SpectraBase Compound ID | IoXawTi6FRa |
|---|---|
| InChI | InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1 |
| InChIKey | WPPPFZJNKLMYBW-FAEUQDRCSA-N |
| Mol Weight | 630.7 g/mol |
| Molecular Formula | C33H42O12 |
| Exact Mass | 630.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJfKNkcntSW |
|---|---|
| Name | 9-DIHYDRO-13-ACETYLBACCATINE-III |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O12 |
| InChI | InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1 |
| InChIKey | WPPPFZJNKLMYBW-FAEUQDRCSA-N |
| Literature Reference Author | G.P.GUNAWARDANA,U.PREMACHANDRAN,N.S.BURRES,D.N.WHITTERN,R.HE NRY,S.SPANTON,J.B.MC |
| Literature Reference Citation | J.NAT.PROD.,55,1686(1992) |
| Literature Reference DOI | 10.1021/np50089a022 |
| Molecular Weight | 630.689 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3345 |