| SpectraBase Compound ID | KLT3e0520gx |
|---|---|
| InChI | InChI=1S/C43H78O12S.Na/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2;/h11,13,17-18,36-37,40-43,46-48H,3-10,12,14-16,19-35H2,1-2H3,(H,49,50,51);/q;+1/p-1/b13-11+,18-17+;/t36-,37-,40-,41+,42-,43+;/m1./s1 |
| InChIKey | CHPXALHMMVUFQP-IRCHTIDPSA-M |
| Mol Weight | 841.1 g/mol |
| Molecular Formula | C43H77NaO12S |
| Exact Mass | 840.503343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Drn6MnFzIyL |
|---|---|
| Name | CHPXALHMMVUFQP-IRCHTIDPSA-M |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H77NaO12S |
| InChI | InChI=1S/C43H78O12S.Na/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2;/h11,13,17-18,36-37,40-43,46-48H,3-10,12,14-16,19-35H2,1-2H3,(H,49,50,51);/q;+1/p-1/b13-11+,18-17+;/t36-,37-,40-,41+,42-,43+;/m1./s1 |
| InChIKey | CHPXALHMMVUFQP-IRCHTIDPSA-M |
| Literature Reference Author | V.RESHEF,E.MIZRACHI,T.MARETZKI,C.SILBERSTEIN,S.LOYA,A.HIZI,S .CARMELI |
| Literature Reference Citation | J.NAT.PROD.,60,1251(1997) |
| Literature Reference DOI | 10.1021/np970327m |
| Molecular Weight | 841.127 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWRU345 |