![#1;3-BETA-[BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYLOXY]-12-BETA-TIGLOYLOXY-14-BETA-HYDROXY-PREGN-5-EN-20-ONE](/api/spectrum/3oaHljnw8PA/structure.png?h=300&w=458 "#1;3-BETA-[BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYLOXY]-12-BETA-TIGLOYLOXY-14-BETA-HYDROXY-PREGN-5-EN-20-ONE")
| SpectraBase Compound ID | JO33eARGTac |
|---|---|
| InChI | InChI=1S/C47H74O15/c1-12-23(2)43(51)60-35-20-32-31(47(52)18-16-30(24(3)48)46(35,47)8)14-13-28-19-29(15-17-45(28,32)7)59-36-21-33(53-9)40(26(5)56-36)61-37-22-34(54-10)41(27(6)57-37)62-44-39(50)42(55-11)38(49)25(4)58-44/h12-13,25-27,29-42,44,49-50,52H,14-22H2,1-11H3/b23-12+/t25-,26-,27+,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,44+,45+,46+,47+/m1/s1 |
| InChIKey | CBMQKMMZBOSHHP-BTSUXKOBSA-N |
| Mol Weight | 879.1 g/mol |
| Molecular Formula | C47H74O15 |
| Exact Mass | 878.502772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3oaHljnw8PA |
|---|---|
| Name | #1;3-BETA-[BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYLOXY]-12-BETA-TIGLOYLOXY-14-BETA-HYDROXY-PREGN-5-EN-20-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O15 |
| InChI | InChI=1S/C47H74O15/c1-12-23(2)43(51)60-35-20-32-31(47(52)18-16-30(24(3)48)46(35,47)8)14-13-28-19-29(15-17-45(28,32)7)59-36-21-33(53-9)40(26(5)56-36)61-37-22-34(54-10)41(27(6)57-37)62-44-39(50)42(55-11)38(49)25(4)58-44/h12-13,25-27,29-42,44,49-50,52H,14-22H2,1-11H3/b23-12+/t25-,26-,27+,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,44+,45+,46+,47+/m1/s1 |
| InChIKey | CBMQKMMZBOSHHP-BTSUXKOBSA-N |
| Literature Reference Author | F.R.V.HEERDEN,R.M.HORAK,V.J.MAHARAJ,R.VLEGGAAR,J.V.SENABE,P. J.GUNNING |
| Literature Reference Citation | PHYTOCHEM.,68,2545(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.05.022 |
| Molecular Weight | 879.096 g/mol |
| Sample ID | 63050 |
| Solvent | CDCl3 |