| SpectraBase Spectrum ID |
Cc4CqS0CcG4 |
| Name |
[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 9-methyltetradecanoate |
| 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/c1-9-11-13-23-29-37(4)31-24-18-15-14-16-21-27-33-54-34-42(56-38(5)49)35-55-44-45(57-39(6)50)47(58-40(7)51)48(59-41(8)52)46(44)60-43(53)32-26-20-17-19-25-30-36(3)28-22-12-10-2/h36-37,42,44-48H,9-35H2,1-8H3/t36?,37?,42-,44+,45+,46+,47-,48-/m0/s1 |
| InChIKey |
ZTZWJYRRXPEQHP-JTFXSLDSSA-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(CCCCCCCC(CCCCC)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-0059160000-7a32b8fa0ba704dd19a4 |
| Source of Spectrum |
G4-65-886-4b |
| Wiley ID |
1883680 |
![[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 9-methyltetradecanoate](/api/spectrum/Cc4CqS0CcG4/structure.png?h=300&w=458 "[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 9-methyltetradecanoate")
