| SpectraBase Spectrum ID |
1aIENhY996P |
| Name |
4.alpha.-Methylfecosterol acetate |
| Alternate Name(s) |
(3beta,4alpha,5alpha)-4-methylergosta-8,24(28)-dien-3-yl acetate
Acetic acid (3S,4S,5S,10S,13R,14R,17R)-17-((R)-1,5-dimethyl-4-methylene-hexyl)-4,10,13-trimethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H50O2 |
| InChI |
InChI=1S/C31H50O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h19,21-22,25-27,29H,3,9-18H2,1-2,4-8H3/t21-,22+,25-,26+,27+,29+,30-,31+/m1/s1 |
| InChIKey |
RNXCGPIFSGPWOB-GTNWKTSESA-N |
| Molecular Weight |
454.739 g/mol |
| SMILES |
C=12[C@@]3([C@@]([C@@](C)([H])[C@](CC3)(OC(=O)C)[H])([H])CCC1[C@@]1(CC[C@@]([C@]1(CC2)C)([C@@](CCC(=C)C(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0f6x-7041900000-9fabf3a2dc2c0703355b |
| Source of Spectrum |
KC-0-500-3 |
| Wiley ID |
827453 |
