| SpectraBase Compound ID | 4PBlWXJmkIl |
|---|---|
| InChI | InChI=1S/C43H66O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h12-14,24-25,30,32-41H,11,15-23H2,1-10H3/b13-12+/t25-,30+,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1 |
| InChIKey | NZMHXRIVRXTDJY-ZPIXBUHCSA-N |
| Mol Weight | 743.0 g/mol |
| Molecular Formula | C43H66O10 |
| Exact Mass | 742.465598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKxoVMlUQGs |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-STIGMASTEROL-PERACETYLATED |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H66O10 |
| InChI | InChI=1S/C43H66O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h12-14,24-25,30,32-41H,11,15-23H2,1-10H3/b13-12+/t25-,30+,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1 |
| InChIKey | NZMHXRIVRXTDJY-ZPIXBUHCSA-N |
| Literature Reference Author | F.H.REGINATTO,C.KAUFFMANN,J.SCHRIPSEMA,D.GUILLAUME,G.GOSMANN ,E.P.SCHENKEL |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,12,32(2001) |
| Molecular Weight | 742.991 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA1259 |