| SpectraBase Spectrum ID |
4dS1t2Wd3g |
| Name |
22-Phenylsulfonyl-3-beta-(2H-tetrahydropyran-2-yloxy)-23,24-bisnorchola-5,7-diene |
| Alternate Name(s) |
2-(((3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-((S)-1-(phenylsulfonyl)propan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)tetrahydro-2H-pyran |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H46O4S |
| InChI |
InChI=1S/C33H46O4S/c1-23(22-38(34,35)26-9-5-4-6-10-26)28-14-15-29-27-13-12-24-21-25(37-31-11-7-8-20-36-31)16-18-32(24,2)30(27)17-19-33(28,29)3/h4-6,9-10,12-13,23,25,28-31H,7-8,11,14-22H2,1-3H3/t23-,25+,28-,29+,30+,31?,32+,33-/m1/s1 |
| InChIKey |
MYJGQGTXDAJCOM-WMNWOMPISA-N |
| Literature Reference DOI |
10.1002/prac.19883300402 |
| Molecular Weight |
538.787 g/mol |
| SMILES |
[C@]1(CC[C@@]2([C@]3(CC[C@]4(C)[C@]([H])(CC[C@@]4([H])C3=CC=C2C1)[C@@](CS(c1ccccc1)(=O)=O)(C)[H])[H])C)(OC1CCCCO1)[H] |
| SPLASH |
splash10-000i-9300700000-692e03212da4cbbbc171 |
| Source of Spectrum |
JF-330-506-7 |
| Wiley ID |
1791664 |
