| SpectraBase Spectrum ID |
GhdH8Adz858 |
| Name |
3alpha-Ethoxycarbonyloxy-12alpha-methylsulfonyloxy-5beta-cholan-acid-methyl ester |
| Alternate Name(s) |
Methyl (R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-((ethoxycarbonyl)oxy)-10,13-dimethyl-12-((methylsulfonyl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O8S |
| InChI |
InChI=1S/C29H48O8S/c1-7-35-27(31)36-20-14-15-28(3)19(16-20)9-10-21-23-12-11-22(18(2)8-13-26(30)34-5)29(23,4)25(17-24(21)28)37-38(6,32)33/h18-25H,7-17H2,1-6H3/t18-,19-,20-,21+,22-,23+,24+,25+,28+,29-/m1/s1 |
| InChIKey |
UTZXBAHOGSCNPH-DVJLPHKYSA-N |
| Molecular Weight |
556.755 g/mol |
| SMILES |
C1C[C@]2([C@@](C[C@@]1(OC(OCC)=O)[H])(CC[C@@]1([C@@]2(C[C@@]([C@]2([C@]1(CC[C@@]2([C@](C)(CCC(=O)OC)[H])[H])[H])C)(OS(C)(=O)=O)[H])[H])[H])[H])C |
| SPLASH |
splash10-0a4i-0093000000-d0f4fe169dd238b1330e |
| Source of Spectrum |
APC-314-123-1c |
| Wiley ID |
1787906 |
