| SpectraBase Spectrum ID |
9q2gMV3UZk9 |
| Name |
[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 10-methylhexadecanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H90O12 |
| GC Oven Program |
Oven temp 300oC, split or splitless injector |
| InChI |
InChI=1S/C50H90O12/c1-9-11-13-24-30-38(3)32-26-20-16-15-19-23-29-35-56-36-44(58-40(5)51)37-57-46-47(59-41(6)52)49(60-42(7)53)50(61-43(8)54)48(46)62-45(55)34-28-22-18-17-21-27-33-39(4)31-25-14-12-10-2/h38-39,44,46-50H,9-37H2,1-8H3/t38?,39?,44-,46+,47+,48+,49-,50-/m0/s1 |
| InChIKey |
WJGAYUZPTNBUCK-ZYMCWJQESA-N |
| Instrument Name |
HewlettPackard 5890 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010498y |
| Molecular Weight |
883.258 g/mol |
| Optical Rotation |
[a]D25 = +6.2 (c = 0.6, CHCl3) |
| Reported Formula |
C50H90O12 |
| SMILES |
[C@@]1([C@]([C@@]([C@]([C@@]1(OC(CCCCCCCCC(CCCCCC)C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC[C@](COCCCCCCCCCC(CCCCCC)C)(OC(C)=O)[H])[H] |
| SPLASH |
splash10-0a4i-0059160000-2122ece8bdd97ffd84dc |
| Source of Spectrum |
G4-65-886-4m |
| Wiley ID |
1883689 |
![[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 10-methylhexadecanoate](/api/spectrum/9q2gMV3UZk9/structure.png?h=300&w=458 "[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 10-methylhexadecanoate")
