| SpectraBase Compound ID | 9S3U5DxWDgv |
|---|---|
| InChI | InChI=1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-11-17-4-5-21-20(28(17,3)23(31)12-18)6-8-27(2)19(7-9-29(21,27)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18-,19-,20+,21-,22+,23-,25+,26-,27-,28+,29+/m1/s1 |
| InChIKey | TWYWVFKLDXGLSS-WRGDVYJBSA-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 | 8GnJYbReBwG |
|---|---|
| Name | ACOVENOSIGENIN-A-3-O-BETA-DIGITOXOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O8 |
| InChI | InChI=1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-11-17-4-5-21-20(28(17,3)23(31)12-18)6-8-27(2)19(7-9-29(21,27)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18-,19-,20+,21-,22+,23-,25+,26-,27-,28+,29+/m1/s1 |
| InChIKey | TWYWVFKLDXGLSS-WRGDVYJBSA-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 | DMSO-D6 |
| Source File Reference | UWKP3218 |