| SpectraBase Compound ID | 95dav4hUzWC |
|---|---|
| InChI | InChI=1S/C51H94O12/c1-39(2)20-13-25-45(5,56)27-16-29-47(7,58)31-18-33-49(9,60)34-19-32-48(8,59)30-17-28-46(6,57)26-14-23-40(3)21-12-22-41(4)24-15-35-51(11,62)42(52)38-63-44(55)37-50(10,61)36-43(53)54/h20-21,24,42,52,56-62H,12-19,22-23,25-38H2,1-11H3,(H,53,54)/b40-21+,41-24+/t42-,45?,46?,47?,48?,49?,50?,51-/m1/s1 |
| InChIKey | JNPNBPGXYIYVEV-WZVPZXMNSA-N |
| Mol Weight | 899.3 g/mol |
| Molecular Formula | C51H94O12 |
| Exact Mass | 898.674528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvZJtAxxp15 |
|---|---|
| Name | GYMNOPILIN-A9 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H94O12 |
| InChI | InChI=1S/C51H94O12/c1-39(2)20-13-25-45(5,56)27-16-29-47(7,58)31-18-33-49(9,60)34-19-32-48(8,59)30-17-28-46(6,57)26-14-23-40(3)21-12-22-41(4)24-15-35-51(11,62)42(52)38-63-44(55)37-50(10,61)36-43(53)54/h20-21,24,42,52,56-62H,12-19,22-23,25-38H2,1-11H3,(H,53,54)/b40-21+,41-24+/t42-,45?,46?,47?,48?,49?,50?,51-/m1/s1 |
| InChIKey | JNPNBPGXYIYVEV-WZVPZXMNSA-N |
| Literature Reference Author | J.A.FINDLAY,Z.Q.HE |
| Literature Reference Citation | J.NAT.PROD.,54,184(1991) |
| Literature Reference DOI | 10.1021/np50073a017 |
| Molecular Weight | 899.300 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS63 |