| SpectraBase Compound ID | CtQ9UR4jMja |
|---|---|
| InChI | InChI=1S/C30H50O3S/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(33-34(7,31)32)15-17-29(23,5)28(25)16-18-30(26,27)6/h9-11,20-22,24-28H,8,12-19H2,1-7H3/b10-9+/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | BCEWRHMQMUOGAF-LVVYUBKHSA-N |
| Mol Weight | 490.8 g/mol |
| Molecular Formula | C30H50O3S |
| Exact Mass | 490.348067 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | GJBcCZMwQD6 |
|---|---|
| Name | Stigmasta-5,22-dien-3-ol, methanesulfonate, (3beta) |
| CAS Registry Number | 15072-97-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H50O3S |
| InChI | InChI=1S/C30H50O3S/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(33-34(7,31)32)15-17-29(23,5)28(25)16-18-30(26,27)6/h9-11,20-22,24-28H,8,12-19H2,1-7H3/b10-9+/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | BCEWRHMQMUOGAF-LVVYUBKHSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Synonyms | Stigmasta-5,22-dien-3beta-ol, methanesulfonate |
| Technique | KBr-Pellet |