| SpectraBase Spectrum ID |
9cghtRtB8MK |
| Name |
(3-beta,22E)-Stigmasta-5,9(11),22-trien-3-yl Heptadecanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H78O2 |
| InChI |
InChI=1S/C46H78O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)36(5)24-25-37(9-2)35(3)4/h24-26,31,35-37,39-42H,8-23,27-30,32-34H2,1-7H3/b25-24+/t36-,37-,39+,40+,41-,42+,45+,46-/m1/s1 |
| InChIKey |
MFZOGJKSQDHHBM-QDHFQRRGSA-N |
| Literature Reference DOI |
10.1002/cbdv.200790137 |
| Molecular Weight |
663.128 g/mol |
| SMILES |
[C@](\C=C\[C@@](CC)(C(C)C)[H])([C@]1(CC[C@]2([C@@]3(CC=C4C[C@](CC[C@@]4(C3=CC[C@]12C)C)(OC(CCCCCCCCCCCCCCCC)=O)[H])[H])[H])[H])(C)[H] |
| SPLASH |
splash10-0apl-8902412000-450d528e152064e4c782 |
| Source of Spectrum |
CBD-4-1584-3 |
| Synonyms |
(3S,8S,10S,13R,14S,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl heptadecanoate |
| Wiley ID |
1790349 |
