| SpectraBase Compound ID | DE8PDQOmAQJ |
|---|---|
| InChI | InChI=1S/C33H54O12/c1-14-5-10-33(42-13-14)15(2)21-19(44-33)11-18-16-6-9-32(45-29-26(39)23(36)22(35)20(12-34)43-29)28(41)25(38)24(37)27(40)31(32,4)17(16)7-8-30(18,21)3/h14-29,34-41H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27-,28+,29-,30+,31+,32+,33-/m1/s1 |
| InChIKey | ZMWPXOWHGCULAK-LSKJELBCSA-N |
| Mol Weight | 642.8 g/mol |
| Molecular Formula | C33H54O12 |
| Exact Mass | 642.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bg4zXTrOGSS |
|---|---|
| Name | NEOPENTOLOGENIN-5-O-BETA-D-GLUCOPYRANOSID=(25S)-1-BETA,2-BETA,3-BETA,4-BETA-TETRAHYDROXY-5-O-BETA-D-GLUCOPYRANOSYL-5-BETA-SPIROSTAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H54O12 |
| InChI | InChI=1S/C33H54O12/c1-14-5-10-33(42-13-14)15(2)21-19(44-33)11-18-16-6-9-32(45-29-26(39)23(36)22(35)20(12-34)43-29)28(41)25(38)24(37)27(40)31(32,4)17(16)7-8-30(18,21)3/h14-29,34-41H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27-,28+,29-,30+,31+,32+,33-/m1/s1 |
| InChIKey | ZMWPXOWHGCULAK-LSKJELBCSA-N |
| Literature Reference Author | T.KONISHI,S.KIYOSAWA,J.SHOJI |
| Literature Reference Citation | CHEM.PHARM.BULL.,32,1451(1984) |
| Literature Reference DOI | 10.1248/cpb.32.1451 |
| Molecular Weight | 642.785 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW17051 |