| SpectraBase Spectrum ID |
4Cxc6n6nlek |
| Name |
Ethyl ester of (22E,24S)-3.beta.-Acetoxy-5.alpha.-stigmasta-7,23-dien-29-oic acid |
| CAS Registry Number |
76282-37-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H52O4 |
| InChI |
InChI=1S/C33H52O4/c1-8-36-31(35)19-24(21(2)3)10-9-22(4)28-13-14-29-27-12-11-25-20-26(37-23(5)34)15-17-32(25,6)30(27)16-18-33(28,29)7/h10,12,21-22,25-26,28-30H,8-9,11,13-20H2,1-7H3/b24-10-/t22-,25+,26+,28-,29+,30+,32+,33-/m1/s1 |
| InChIKey |
LTQQAQMGZQZREK-WUOXVFQISA-N |
| Molecular Weight |
512.775 g/mol |
| SMILES |
C=12[C@]3([C@]([C@@]([C@@](C\C=C\(CC(=O)OCC)C(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@](OC(=O)C)(C[C@@]2(CC1)[H])[H])C)[H])[H] |
| SPLASH |
splash10-03di-0009230000-6acfdc62ad51e16fbfd3 |
| Source of Spectrum |
J-46-1727-0 |
| Synonyms |
Ethyl ester of (22E,24R)-3.beta.-Acetoxy-5.alpha.-stigmasta-7,23-dien-29-oic Acid
(3beta,5alpha,23Z)-29-ethoxy-29-oxostigmasta-7,23-dien-3-yl acetate |
| Wiley ID |
1400906 |
