| SpectraBase Compound ID | 3qDFEQFCBA0 |
|---|---|
| InChI | InChI=1S/C34H46N2O9/c1-7-36-17-31(45-30(39)20-10-8-9-11-23(20)35)13-12-27(41-5)33-25(31)15-22(28(33)36)32(43-18(2)37)16-24(40-4)21-14-26(33)34(32,29(21)42-6)44-19(3)38/h8-11,21-22,24-29H,7,12-17,35H2,1-6H3/t21-,22+,24?,25-,26+,27+,28?,29+,31-,32+,33+,34+/m1/s1 |
| InChIKey | UWOSMDYEOCXEGU-GITCBDRBSA-N |
| Mol Weight | 626.7 g/mol |
| Molecular Formula | C34H46N2O9 |
| Exact Mass | 626.320331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9C5Lg2JNOVp |
|---|---|
| Name | N-DEACETYL-8,9-DIACETYLLAPPACONITINE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46N2O9 |
| InChI | InChI=1S/C34H46N2O9/c1-7-36-17-31(45-30(39)20-10-8-9-11-23(20)35)13-12-27(41-5)33-25(31)15-22(28(33)36)32(43-18(2)37)16-24(40-4)21-14-26(33)34(32,29(21)42-6)44-19(3)38/h8-11,21-22,24-29H,7,12-17,35H2,1-6H3/t21-,22+,24?,25-,26+,27+,28?,29+,31-,32+,33+,34+/m1/s1 |
| InChIKey | UWOSMDYEOCXEGU-GITCBDRBSA-N |
| Literature Reference Author | H.K.DESAI,B.P.HART,R.W.CALDWELL,J.HUANG,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,61,743(1998) |
| Literature Reference DOI | 10.1021/np970499j |
| Molecular Weight | 626.747 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2179 |