| SpectraBase Compound ID | IVDRTpZEikv |
|---|---|
| InChI | InChI=1S/C27H46O7S/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(34-35(31,32)33)27(30)16-19(28)11-12-25(27,5)26(22,29)14-13-24(20,21)4/h15,17-21,23,28-30H,6-14,16H2,1-5H3,(H,31,32,33)/t18-,19+,20-,21+,23+,24-,25-,26-,27+/m1/s1 |
| InChIKey | PQWJBUCEKMAWGE-BCBAPGJRSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C27H46O7S |
| Exact Mass | 514.296425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vOIu28t63a |
|---|---|
| Name | 3-BETA,5-ALPHA,6-ALPHA,9-ALPHA-TETRAHYDROXY-CHOLEST-7-ENE-6-SULFATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46O7S |
| InChI | InChI=1S/C27H46O7S/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(34-35(31,32)33)27(30)16-19(28)11-12-25(27,5)26(22,29)14-13-24(20,21)4/h15,17-21,23,28-30H,6-14,16H2,1-5H3,(H,31,32,33)/t18-,19+,20-,21+,23+,24-,25-,26-,27+/m1/s1 |
| InChIKey | PQWJBUCEKMAWGE-BCBAPGJRSA-N |
| Literature Reference Author | A.AIELLO,E.FATTORUSSO,M.MENNA,R.CARNUCCIO,T.IUVONE |
| Literature Reference Citation | STEROIDS,60,666(1995) |
| Literature Reference DOI | 10.1016/0039-128x(95)00055-u |
| Molecular Weight | 514.718 g/mol |
| Source File Reference | UWLU73857 |