![1-BETA,3-BETA-DIHYDROXYPREGNA-5,16-DIEN-20-ONE-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/Fr6qeZYgVQL/structure.png?h=300&w=458 "1-BETA,3-BETA-DIHYDROXYPREGNA-5,16-DIEN-20-ONE-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 1jsfhV1jGYL |
|---|---|
| InChI | InChI=1S/C38H58O16/c1-15(40)20-7-8-21-19-6-5-17-11-18(41)12-25(38(17,4)22(19)9-10-37(20,21)3)52-36-33(54-35-31(48)29(46)26(43)16(2)50-35)32(28(45)24(13-39)51-36)53-34-30(47)27(44)23(42)14-49-34/h5,7,16,18-19,21-36,39,41-48H,6,8-14H2,1-4H3/t16-,18-,19?,21?,22?,23+,24+,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36-,37-,38+/m1/s1 |
| InChIKey | WAILSVQYMKGRPF-IMOUDNBLSA-N |
| Mol Weight | 770.9 g/mol |
| Molecular Formula | C38H58O16 |
| Exact Mass | 770.372486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fr6qeZYgVQL |
|---|---|
| Name | 1-BETA,3-BETA-DIHYDROXYPREGNA-5,16-DIEN-20-ONE-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H58O16 |
| InChI | InChI=1S/C38H58O16/c1-15(40)20-7-8-21-19-6-5-17-11-18(41)12-25(38(17,4)22(19)9-10-37(20,21)3)52-36-33(54-35-31(48)29(46)26(43)16(2)50-35)32(28(45)24(13-39)51-36)53-34-30(47)27(44)23(42)14-49-34/h5,7,16,18-19,21-36,39,41-48H,6,8-14H2,1-4H3/t16-,18-,19?,21?,22?,23+,24+,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36-,37-,38+/m1/s1 |
| InChIKey | WAILSVQYMKGRPF-IMOUDNBLSA-N |
| Literature Reference Author | Y.MIMAKI,T.INOUE,M.HURODA,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,44,107(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00477-3 |
| Molecular Weight | 770.869 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC202 |