| SpectraBase Spectrum ID |
5L5e1yYqPpm |
| Name |
3-Cyclohexene-1-propanoic acid, 1,3-dimethyl-6-(1-methylethenyl)-2-[3-methyl-5-[[4-O-(3-methyl-1-oxo-2-butenyl)-.alpha.-L-arabinopyranosyl]oxy]pentyl]-, methyl ester, [1S-[1.alpha.,2.beta.(R*),6.beta.]]- |
| Alternate Name(s) |
Methyl 3-[(1S,2S,6S)-6-isopropenyl-1,3-dimethyl-2-(3-methyl-5-{[4-O-(3-methyl-2-butenoyl)-.alpha.-L-arabinopyranosyl]oxy}pentyl)-3-cyclohexen-1-yl]propanoate
Spathulasin methyl ester |
| CAS Registry Number |
122899-04-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H50O8 |
| InChI |
InChI=1S/C31H50O8/c1-19(2)17-27(33)39-25-18-38-30(29(35)28(25)34)37-16-14-21(5)9-11-24-22(6)10-12-23(20(3)4)31(24,7)15-13-26(32)36-8/h10,17,21,23-25,28-30,34-35H,3,9,11-16,18H2,1-2,4-8H3/t21?,23-,24-,25-,28-,29+,30+,31-/m0/s1 |
| InChIKey |
LMRHNYZQMZVKDT-VHXMYKTNSA-N |
| Molecular Weight |
550.733 g/mol |
| SMILES |
O[C@]1([C@](CO[C@]([C@@]1(O)[H])(OCCC(CC[C@@]1([C@]([C@@](CC=C1C)(C(=C)C)[H])(CCC(=O)OC)C)[H])C)[H])(OC(C=C(C)C)=O)[H])[H] |
| SPLASH |
splash10-014i-2941000000-403d8095ef7623b28cf2 |
| Source of Spectrum |
J-54-5345-2 |
| Wiley ID |
1405739 |
![3-Cyclohexene-1-propanoic acid, 1,3-dimethyl-6-(1-methylethenyl)-2-[3-methyl-5-[[4-O-(3-methyl-1-oxo-2-butenyl)-.alpha.-L-arabinopyranosyl]oxy]pentyl]-, methyl ester, [1S-[1.alpha.,2.beta.(R*),6.beta.]]-](/api/spectrum/5L5e1yYqPpm/structure.png?h=300&w=458 "3-Cyclohexene-1-propanoic acid, 1,3-dimethyl-6-(1-methylethenyl)-2-[3-methyl-5-[[4-O-(3-methyl-1-oxo-2-butenyl)-.alpha.-L-arabinopyranosyl]oxy]pentyl]-, methyl ester, [1S-[1.alpha.,2.beta.(R*),6.beta.]]-")
