| SpectraBase Spectrum ID |
FSrbUqbkmYq |
| Name |
STIGMAST-5-EN-3-YL 9-OCTADECENOATE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
678.631481878 u |
| Formula |
C47H82O2 |
| InChI |
InChI=1S/C47H82O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h16-17,27,36-38,40-44H,8-15,18-26,28-35H2,1-7H3/b17-16+/t37-,38-,40?,41?,42-,43?,44?,46+,47-/m1/s1 |
| InChIKey |
YVDXIVLWTCSVDW-LSEWPTLYSA-N |
| Molecular Weight |
679.171 g/mol |
| Nominal Mass |
678 u |
| Number of Peaks |
246 |
| SMILES |
C(CCCCCCC\C=C\CCCCCCCC)(=O)OC1CC[C@@]2(C3CC[C@@]4([C@](CCC4C3CC=C2C1)([C@@](CC[C@@](CC)(C(C)C)[H])(C)[H])[H])C)C |
| SPLASH |
splash10-0002-6933000000-76e73e70a045e8678122 |
| Source File Reference |
LMCM-22716-211V |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
STIGMAST-5-EN-3-OL, OLEAT
(2R,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl (9E)-octadec-9-enoate |
| Wiley ID |
8_31388 |
