| SpectraBase Compound ID | e3Ro3k0FLV |
|---|---|
| InChI | InChI=1S/C29H40O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-18,24,32,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,18-,24+,26-,27?,28-,29-/m0/s1 |
| InChIKey | JZZMIFMLEGZFJO-TYVNISONSA-N |
| Mol Weight | 532.6 g/mol |
| Molecular Formula | C29H40O9 |
| Exact Mass | 532.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8TSUHbeOt17 |
|---|---|
| Name | 20-HYDROXYLUCIDENIC-ACID-E2;(20-XI)-12-BETA-ACETOXY-3-BETA,20-DIHYDROXY-7,11,15-TRIOXO-25,26,27-TRISNORLANOST-8-EN-24-OIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O9 |
| InChI | InChI=1S/C29H40O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-18,24,32,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,18-,24+,26-,27?,28-,29-/m0/s1 |
| InChIKey | JZZMIFMLEGZFJO-TYVNISONSA-N |
| Literature Reference Author | T.AKIHISA,M.TAGATA,M.UKIYA,H.TOKUDA,T.SUZUKI,Y.KIMURA |
| Literature Reference Citation | J.NAT.PROD.,68,559(2005) |
| Literature Reference DOI | 10.1021/np040230h |
| Molecular Weight | 532.631 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9618 |