| SpectraBase Spectrum ID |
8T9pvomh8Kz |
| Name |
3.alpha.-Trifluoroacetoxy-5.beta.-cholan-24-oic acid ethylene glycol diester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C54H80F6O8 |
| InChI |
InChI=1S/C54H80F6O8/c1-31(39-13-15-41-37-11-9-33-29-35(67-47(63)53(55,56)57)19-23-49(33,3)43(37)21-25-51(39,41)5)7-17-45(61)65-27-28-66-46(62)18-8-32(2)40-14-16-42-38-12-10-34-30-36(68-48(64)54(58,59)60)20-24-50(34,4)44(38)22-26-52(40,42)6/h31-44H,7-30H2,1-6H3/t31-,32+,33-,34+,35-,36+,37+,38-,39-,40+,41+,42-,43+,44-,49+,50-,51-,52+ |
| InChIKey |
NZOHNMQRPCPCHK-JACFUWNYSA-N |
| Molecular Weight |
971.216 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(C(F)(F)F)=O)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OCCOC(=O)CC[C@@]([C@]1([C@]2([C@]([C@]3(CC[C@@]4([C@]([C@@]3(CC2)[H])(CC[C@](OC(C(F)(F)F)=O)(C4)[H])C)[H])[H])([H])CC1)C)[H])(C)[H])(C)[H])[H])[H])C |
| SPLASH |
splash10-0a4j-0093700030-7b08a394e867275c1aad |
| Source of Spectrum |
SO-0-1083-5 |
| Synonyms |
2-{[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-2,15-dimethyl-5-[(2,2,2-trifluoroacetyl)oxy]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]pentanoyl]oxy}ethyl (4S)-4-[(1R,2R,5S,7S,10S,11R,14S,15S)-2,15-dimethyl-5-[(2,2,2-trifluoroacetyl)oxy]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]pentanoate |
| Wiley ID |
873874 |
