![PENTANDROSIDE-G;16-BETA-[(4'S)-5'-(BETA-D-GLUCOPYRANOSYLOXY)-4'-METHYLPENTANOYLOXY]-3-BETA-HYDROXY-5-ALPHA-PREGNAN-20-ONE-3-O-[ALPHA-L-RHAMNOPYRANO](/api/spectrum/IcTaG5BOTxT/structure.png?h=300&w=458 "PENTANDROSIDE-G;16-BETA-[(4'S)-5'-(BETA-D-GLUCOPYRANOSYLOXY)-4'-METHYLPENTANOYLOXY]-3-BETA-HYDROXY-5-ALPHA-PREGNAN-20-ONE-3-O-[ALPHA-L-RHAMNOPYRANO")
| SpectraBase Compound ID | GP9w6a9laNN |
|---|---|
| InChI | InChI=1S/C61H100O32/c1-22(19-81-54-47(78)44(75)41(72)33(16-62)87-54)6-9-36(68)86-32-15-29-27-8-7-25-14-26(10-12-60(25,4)28(27)11-13-61(29,5)37(32)23(2)65)85-58-52(92-57-48(79)43(74)38(69)24(3)84-57)49(80)50(35(18-64)89-58)90-59-53(93-56-46(77)40(71)31(67)21-83-56)51(42(73)34(17-63)88-59)91-55-45(76)39(70)30(66)20-82-55/h22,24-35,37-59,62-64,66-67,69-80H,6-21H2,1-5H3/t22-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+,52-,53-,54-,55+,56+,57+,58-,59+,60+,61+/m1/s1 |
| InChIKey | UQZPIWLVCRZJBY-HDBWUTTRSA-N |
| Mol Weight | 1345.4 g/mol |
| Molecular Formula | C61H100O32 |
| Exact Mass | 1344.619771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IcTaG5BOTxT |
|---|---|
| Name | PENTANDROSIDE-G;16-BETA-[(4'S)-5'-(BETA-D-GLUCOPYRANOSYLOXY)-4'-METHYLPENTANOYLOXY]-3-BETA-HYDROXY-5-ALPHA-PREGNAN-20-ONE-3-O-[ALPHA-L-RHAMNOPYRANO |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H100O32 |
| InChI | InChI=1S/C61H100O32/c1-22(19-81-54-47(78)44(75)41(72)33(16-62)87-54)6-9-36(68)86-32-15-29-27-8-7-25-14-26(10-12-60(25,4)28(27)11-13-61(29,5)37(32)23(2)65)85-58-52(92-57-48(79)43(74)38(69)24(3)84-57)49(80)50(35(18-64)89-58)90-59-53(93-56-46(77)40(71)31(67)21-83-56)51(42(73)34(17-63)88-59)91-55-45(76)39(70)30(66)20-82-55/h22,24-35,37-59,62-64,66-67,69-80H,6-21H2,1-5H3/t22-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+,52-,53-,54-,55+,56+,57+,58-,59+,60+,61+/m1/s1 |
| InChIKey | UQZPIWLVCRZJBY-HDBWUTTRSA-N |
| Literature Reference Author | A.I.HAMED,W.OLESZEK,A.STOCHMAL,C.PIZZA,S.PIACENTE |
| Literature Reference Citation | PHYTOCHEM.,65,2935(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.07.003 |
| Molecular Weight | 1345.446 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30093 |