| SpectraBase Compound ID | Gs0lm5SCIS4 |
|---|---|
| InChI | InChI=1S/C26H44O8S2/c1-5-6-7-8-17(2)20-11-12-21-19-10-9-18-15-23(33-35(27,28)29)24(34-36(30,31)32)16-26(18,4)22(19)13-14-25(20,21)3/h5,17-24H,1,6-16H2,2-4H3,(H,27,28,29)(H,30,31,32)/t17-,18+,19+,20-,21+,22+,23+,24+,25-,26+/m1/s1 |
| InChIKey | LAZSRKWQJGJJAW-AMIYGGGRSA-N |
| Mol Weight | 548.8 g/mol |
| Molecular Formula | C26H44O8S2 |
| Exact Mass | 548.247761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GeN9wjhZBV |
|---|---|
| Name | HALISTANOL-DISULFATE-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H44O8S2 |
| InChI | InChI=1S/C26H44O8S2/c1-5-6-7-8-17(2)20-11-12-21-19-10-9-18-15-23(33-35(27,28)29)24(34-36(30,31)32)16-26(18,4)22(19)13-14-25(20,21)3/h5,17-24H,1,6-16H2,2-4H3,(H,27,28,29)(H,30,31,32)/t17-,18+,19+,20-,21+,22+,23+,24+,25-,26+/m1/s1 |
| InChIKey | LAZSRKWQJGJJAW-AMIYGGGRSA-N |
| Literature Reference Author | A.D.PATIL,A.J.FREYER,A.BREEN,B.CARTE,R.K.JOHNSON |
| Literature Reference Citation | J.NAT.PROD.,59,606(1996) |
| Literature Reference DOI | 10.1021/np9601770 |
| Molecular Weight | 548.751 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK872 |