![5-BETA,14-BETA,16-BETA-TRIHYDROXY-19-OXO-3-BETA-[(ALPHA-L-RHAMNOPYRANOSYL)-OXY]-BUFA-20,22-DIENOLIDE](/api/spectrum/HWj9pTSRB9s/structure.png?h=300&w=458 "5-BETA,14-BETA,16-BETA-TRIHYDROXY-19-OXO-3-BETA-[(ALPHA-L-RHAMNOPYRANOSYL)-OXY]-BUFA-20,22-DIENOLIDE")
| SpectraBase Compound ID | 5bwiAvcBOfG |
|---|---|
| InChI | InChI=1S/C30H42O11/c1-15-23(34)24(35)25(36)26(40-15)41-17-5-9-28(14-31)18-6-8-27(2)22(16-3-4-21(33)39-13-16)20(32)12-30(27,38)19(18)7-10-29(28,37)11-17/h3-4,13-15,17-20,22-26,32,34-38H,5-12H2,1-2H3/t15-,17-,18-,19+,20-,22-,23-,24+,25+,26-,27+,28-,29-,30-/m0/s1 |
| InChIKey | QRFYVPVSGUSPHI-SEIYVQFCSA-N |
| Mol Weight | 578.7 g/mol |
| Molecular Formula | C30H42O11 |
| Exact Mass | 578.272712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWj9pTSRB9s |
|---|---|
| Name | 5-BETA,14-BETA,16-BETA-TRIHYDROXY-19-OXO-3-BETA-[(ALPHA-L-RHAMNOPYRANOSYL)-OXY]-BUFA-20,22-DIENOLIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O11 |
| InChI | InChI=1S/C30H42O11/c1-15-23(34)24(35)25(36)26(40-15)41-17-5-9-28(14-31)18-6-8-27(2)22(16-3-4-21(33)39-13-16)20(32)12-30(27,38)19(18)7-10-29(28,37)11-17/h3-4,13-15,17-20,22-26,32,34-38H,5-12H2,1-2H3/t15-,17-,18-,19+,20-,22-,23-,24+,25+,26-,27+,28-,29-,30-/m0/s1 |
| InChIKey | QRFYVPVSGUSPHI-SEIYVQFCSA-N |
| Literature Reference Author | K.WATANABE,Y.MIMAKI,H.SAKAGAMI,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,66,236(2003) |
| Literature Reference DOI | 10.1021/np0203638 |
| Molecular Weight | 578.657 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4500 |