| SpectraBase Compound ID | A7nAOZ9PHpe |
|---|---|
| InChI | InChI=1S/C39H64O17/c1-16(42)20-6-7-21-19-5-4-17-12-18(8-10-38(17,2)22(19)9-11-39(20,21)3)52-37-34(56-36-33(50)30(47)27(44)24(14-41)54-36)31(48)28(45)25(55-37)15-51-35-32(49)29(46)26(43)23(13-40)53-35/h17-37,40-41,43-50H,4-15H2,1-3H3/t17?,18-,19?,20+,21?,22?,23+,24+,25+,26+,27+,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38-,39+/m1/s1 |
| InChIKey | HHNXMXYBFWWJNB-IYYZIYJVSA-N |
| Mol Weight | 804.9 g/mol |
| Molecular Formula | C39H64O17 |
| Exact Mass | 804.414351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHUpLOWKfkm |
|---|---|
| Name | 5alpha-PREGNANOLONE BIS-O-beta-D-GLUCOSYL-(1-2, 1-6)-beta-D-GLUCOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C39H64O17 |
| InChI | InChI=1S/C39H64O17/c1-16(42)20-6-7-21-19-5-4-17-12-18(8-10-38(17,2)22(19)9-11-39(20,21)3)52-37-34(56-36-33(50)30(47)27(44)24(14-41)54-36)31(48)28(45)25(55-37)15-51-35-32(49)29(46)26(43)23(13-40)53-35/h17-37,40-41,43-50H,4-15H2,1-3H3/t17?,18-,19?,20+,21?,22?,23+,24+,25+,26+,27+,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38-,39+/m1/s1 |
| InChIKey | HHNXMXYBFWWJNB-IYYZIYJVSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |