| SpectraBase Spectrum ID |
6Bg3EdjRPRc |
| Name |
3-.beta.-Trifluoroacetoxy-12-.beta.-fluoro-urs-13,28-.beta.-olide |
| Alternate Name(s) |
(3S,4aR,6aR,6bS,8aS,11R,12S,12aR,12bS,13R,14aR,14bR)-13-fluoro-4,4,6a,6b,11,12,14b-heptamethyl-16-oxoicosahydro-12b,8a-(epoxymethano)picen-3-yl 2,2,2-trifluoroacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H46F4O4 |
| InChI |
InChI=1S/C32H46F4O4/c1-17-8-13-30-15-14-29(7)28(6)12-9-19-26(3,4)22(39-25(38)32(34,35)36)10-11-27(19,5)20(28)16-21(33)31(29,40-24(30)37)23(30)18(17)2/h17-23H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,22+,23-,27+,28-,29+,30+,31+/m1/s1 |
| InChIKey |
BDBYWMDYLPBXEJ-ZLCBSTPNSA-N |
| Literature Reference DOI |
10.1002/cmdc.201200282 |
| Molecular Weight |
570.710 g/mol |
| SMILES |
C1[C@](OC(=O)C(F)(F)F)(C(C)(C)[C@@]2(CC[C@@]3([C@]([C@]2(C1)C)([H])C[C@@](F)([C@]12OC([C@]4([C@]1([C@]([C@@](CC4)(C)[H])(C)[H])[H])CC[C@@]32C)=O)[H])C)[H])[H] |
| SPLASH |
splash10-05pc-7920000000-f420c7adef9ef40adf47 |
| Source of Spectrum |
CMC-7-1643-15 |
| Wiley ID |
1771840 |
