| SpectraBase Spectrum ID |
5KOVzRQ2ZuJ |
| Name |
[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] pentadecanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H86O12 |
| GC Oven Program |
Oven temp 300oC, split or splitless injector |
| InChI |
InChI=1S/C48H86O12/c1-8-10-12-14-15-16-17-18-19-22-25-29-33-43(53)60-46-44(45(57-39(5)50)47(58-40(6)51)48(46)59-41(7)52)55-36-42(56-38(4)49)35-54-34-30-26-23-20-21-24-28-32-37(3)31-27-13-11-9-2/h37,42,44-48H,8-36H2,1-7H3/t37?,42-,44+,45+,46+,47-,48-/m0/s1 |
| InChIKey |
UHTRXHXQHNSCCZ-RXIHWMOBSA-N |
| Instrument Name |
HewlettPackard 5890 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010498y |
| Molecular Weight |
855.204 g/mol |
| Optical Rotation |
[a]D25 = +6.2 (c = 0.6, CHCl3) |
| Reported Formula |
C48H86O12 |
| SMILES |
[C@@]1([C@]([C@@]([C@]([C@@]1(OC(CCCCCCCCCCCCCC)=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-0059160000-7a32b8fa0ba704dd19a4 |
| Source of Spectrum |
G4-65-886-4f |
| Wiley ID |
1883684 |
![[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] pentadecanoate](/api/spectrum/5KOVzRQ2ZuJ/structure.png?h=300&w=458 "[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] pentadecanoate")
