| SpectraBase Spectrum ID |
8WtTPrz9D31 |
| Name |
STIGMASTA-5,22-DIEN-3-OL, ACETATE, (3-BETA,22-Z) |
| Copyright |
Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
454.381080848 u |
| Formula |
C31H50O2 |
| InChI |
InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9-/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey |
IZEUIYYDWBKERE-XPDIXIBYSA-N |
| Molecular Weight |
454.739 g/mol |
| Nominal Mass |
454 u |
| Number of Peaks |
209 |
| SMILES |
[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])([C@@](\C=C/[C@@](CC)(C(C)C)[H])(C)[H])[H])C)[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-053u-9833000000-104557df954eabaf77ff |
| Source File Reference |
LMCM-67042-560R |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
STIGMASTA-5,22(Z)-DIEN-3.BETA.-OL, ACETATE
STIGMASTA-5,22-DIEN-3-YL ACETATE
(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,3Z,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate |
| Wiley ID |
8_30385 |
