| SpectraBase Spectrum ID |
HptZpBIBHNq |
| Name |
[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 9-methylpentadecanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C49H88O12 |
| GC Oven Program |
Oven temp 300oC, split or splitless injector |
| InChI |
InChI=1S/C49H88O12/c1-9-11-13-23-29-37(3)31-25-19-16-15-17-22-28-34-55-35-43(57-39(5)50)36-56-45-46(58-40(6)51)48(59-41(7)52)49(60-42(8)53)47(45)61-44(54)33-27-21-18-20-26-32-38(4)30-24-14-12-10-2/h37-38,43,45-49H,9-36H2,1-8H3/t37?,38?,43-,45+,46+,47+,48-,49-/m0/s1 |
| InChIKey |
RMBQSFDLHDHSQX-XAOZGDPDSA-N |
| Instrument Name |
HewlettPackard 5890 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010498y |
| Molecular Weight |
869.231 g/mol |
| Optical Rotation |
[a]D25 = +6.2 (c = 0.6, CHCl3) |
| Reported Formula |
C49H88O12 |
| SMILES |
[C@@]1([C@]([C@@]([C@]([C@@]1(OC(CCCCCCCC(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-0059160000-43660619251dc93053d1 |
| Source of Spectrum |
G4-65-886-4g |
| Wiley ID |
1883685 |
![[(1R,2R,3S,4R,5R)-2,3,4-triacetoxy-5-[(2S)-2-acetoxy-3-(10-methylhexadecoxy)propoxy]cyclopentyl] 9-methylpentadecanoate](/api/spectrum/HptZpBIBHNq/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-methylpentadecanoate")
