| SpectraBase Compound ID | CHu1pKZOgIz |
|---|---|
| InChI | InChI=1S/C34H44O22S/c1-57-34(48)51-7-11-3-15(39)21-13(9-50-31(19(11)21)55-32-26(44)24(42)22(40)16(5-36)52-32)29(47)54-27-25(43)23(41)17(6-37)53-33(27)56-30-18-10(4-35)2-14(38)20(18)12(8-49-30)28(45)46/h2-3,8-9,14-27,30-33,35-44H,4-7H2,1H3,(H,45,46)/t14-,15-,16-,17+,18?,19?,20?,21?,22-,23+,24+,25-,26-,27+,30-,31-,32+,33-/m0/s1 |
| InChIKey | VGQBMHXNJUYFRO-YYMVCQHASA-N |
| Mol Weight | 836.8 g/mol |
| Molecular Formula | C34H44O22S |
| Exact Mass | 836.204494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSTyJqrQSKG |
|---|---|
| Name | SAPROSMOSIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H44O22S |
| InChI | InChI=1S/C34H44O22S/c1-57-34(48)51-7-11-3-15(39)21-13(9-50-31(19(11)21)55-32-26(44)24(42)22(40)16(5-36)52-32)29(47)54-27-25(43)23(41)17(6-37)53-33(27)56-30-18-10(4-35)2-14(38)20(18)12(8-49-30)28(45)46/h2-3,8-9,14-27,30-33,35-44H,4-7H2,1H3,(H,45,46)/t14-,15-,16-,17+,18?,19?,20?,21?,22-,23+,24+,25-,26-,27+,30-,31-,32+,33-/m0/s1 |
| InChIKey | VGQBMHXNJUYFRO-YYMVCQHASA-N |
| Literature Reference Author | S.K.LING,A.KOMORITA,T.TANAKA,T.FUJIOKA,K.MIHASHI,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,65,656(2002) |
| Literature Reference DOI | 10.1021/np010479o |
| Molecular Weight | 836.770 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4146 |