| SpectraBase Compound ID | CIIvGU1bxrg |
|---|---|
| InChI | InChI=1S/C30H50O6S/c1-19(2)15-21(32)16-20(3)22-9-11-28(6)24-8-7-23-26(4,18-31)25(36-37(33,34)35)10-12-29(23)17-30(24,29)14-13-27(22,28)5/h15,20-25,31-32H,7-14,16-18H2,1-6H3,(H,33,34,35)/t20-,21?,22-,23?,24+,25+,26+,27-,28+,29-,30+/m1/s1 |
| InChIKey | BTQRGQYBCTZVTK-YZKQXWCISA-N |
| Mol Weight | 538.8 g/mol |
| Molecular Formula | C30H50O6S |
| Exact Mass | 538.33281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A60mDs6bj0L |
|---|---|
| Name | CYCLOART-24-EN-3-BETA,23(R),28-TRIOL-3-SULFATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O6S |
| InChI | InChI=1S/C30H50O6S/c1-19(2)15-21(32)16-20(3)22-9-11-28(6)24-8-7-23-26(4,18-31)25(36-37(33,34)35)10-12-29(23)17-30(24,29)14-13-27(22,28)5/h15,20-25,31-32H,7-14,16-18H2,1-6H3,(H,33,34,35)/t20-,21?,22-,23?,24+,25+,26+,27-,28+,29-,30+/m1/s1 |
| InChIKey | BTQRGQYBCTZVTK-YZKQXWCISA-N |
| Literature Reference Author | F.D.HORGEN,B.SAKAMOTO,P.J.SCHEUER |
| Literature Reference Citation | J.NAT.PROD.,63,210(2000) |
| Literature Reference DOI | 10.1021/np990448h |
| Molecular Weight | 538.783 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWGE6170 |