| SpectraBase Compound ID | ExhK4gFPwEq |
|---|---|
| InChI | InChI=1S/C29H44O8/c1-16-25(32)22(30)13-24(36-16)37-18-4-8-26(2)20-5-9-27(3)19(17-12-23(31)35-15-17)7-11-29(27,34)21(20)6-10-28(26,33)14-18/h12,16,18-22,24-25,30,32-34H,4-11,13-15H2,1-3H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27-,28+,29+/m1/s1 |
| InChIKey | ZHLSFKRYXVZYFT-KQFQCFIFSA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C29H44O8 |
| Exact Mass | 520.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FD3Zrtsp5Gu |
|---|---|
| Name | PERIPLOGENIN-DIGITOXOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O8 |
| InChI | InChI=1S/C29H44O8/c1-16-25(32)22(30)13-24(36-16)37-18-4-8-26(2)20-5-9-27(3)19(17-12-23(31)35-15-17)7-11-29(27,34)21(20)6-10-28(26,33)14-18/h12,16,18-22,24-25,30,32-34H,4-11,13-15H2,1-3H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27-,28+,29+/m1/s1 |
| InChIKey | ZHLSFKRYXVZYFT-KQFQCFIFSA-N |
| Literature Reference Author | J.Y.UEDA,Y.TEZUKA,A.H.BANSKOTA,Q.L.TRAN,Q.K.TRAN,I.SAIKI,S.K ADOTA |
| Literature Reference Citation | J.NAT.PROD.,66,1427(2003) |
| Literature Reference DOI | 10.1021/np030177h |
| Molecular Weight | 520.664 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP3225 |