| 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 | 7iOxdWPVRVh |
|---|---|
| Name | 13-ACETYL-9-DIHYDROBACCATIN-3 |
| Compound Number | 2 |
| 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 | R.E.B.KETCHUM,M.TANDON,D.M.GIBSON,T.BEGLEY,M.L.SHULER |
| Literature Reference Citation | J.NAT.PROD.,62,1395(1999) |
| Literature Reference DOI | 10.1021/np990201k |
| Molecular Weight | 630.689 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG2179 |