| SpectraBase Compound ID | fUegoWe3Is |
|---|---|
| InChI | InChI=1S/C27H42O6S.Na/c1-16(2)12-18(28)13-17(3)21-6-7-22-20-15-25(29)24-14-19(33-34(30,31)32)8-10-27(24,5)23(20)9-11-26(21,22)4;/h9,12,17,19-22,24-25,29H,6-8,10-11,13-15H2,1-5H3,(H,30,31,32);/q;+1/p-1/t17-,19+,20?,21-,22?,24?,25+,26-,27-;/m1./s1 |
| InChIKey | WEQSEBSGCCAXTM-ZWQVTXKHSA-M |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C27H41NaO6S |
| Exact Mass | 516.252154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5HpfR3PN5Ge |
|---|---|
| Name | 3-O-SULFOMARTHASTERONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H41NaO6S |
| InChI | InChI=1S/C27H42O6S.Na/c1-16(2)12-18(28)13-17(3)21-6-7-22-20-15-25(29)24-14-19(33-34(30,31)32)8-10-27(24,5)23(20)9-11-26(21,22)4;/h9,12,17,19-22,24-25,29H,6-8,10-11,13-15H2,1-5H3,(H,30,31,32);/q;+1/p-1/t17-,19+,20?,21-,22?,24?,25+,26-,27-;/m1./s1 |
| InChIKey | WEQSEBSGCCAXTM-ZWQVTXKHSA-M |
| Literature Reference Author | N.V.IVANCHINA,A.A.KICHA,A.I.KALINOVSKY,P.S.DMITRENOK,N.G.PRO KOFEVA,V.A.STONIK |
| Literature Reference Citation | J.NAT.PROD.,64,945(2001) |
| Literature Reference DOI | 10.1021/np000572x |
| Molecular Weight | 516.669 g/mol |
| Solvent | C5D5N |