For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[2-[5-[3,4-diacetoxy-5-(3-methylbut-2-enoyloxy)tetrahydropyran-2-yl]oxy-3-methyl-pentyl]-6-isopropenyl-1,3-dimethyl-cyclohex-3-en-1-yl]propanoic acid
SpectraBase Compound ID EvbjGHWab9v
InChI InChI=1S/C34H52O10/c1-20(2)18-30(39)44-28-19-41-33(32(43-25(8)36)31(28)42-24(7)35)40-17-15-22(5)10-12-27-23(6)11-13-26(21(3)4)34(27,9)16-14-29(37)38/h11,18,22,26-28,31-33H,3,10,12-17,19H2,1-2,4-9H3,(H,37,38)
InChIKey UZVBMAHGKJSTGW-UHFFFAOYSA-N
Mol Weight 620.8 g/mol
Molecular Formula C34H52O10
Exact Mass 620.356048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JlPl9iQLa98
Name 3-[2-[5-[3,4-diacetoxy-5-(3-methylbut-2-enoyloxy)tetrahydropyran-2-yl]oxy-3-methyl-pentyl]-6-isopropenyl-1,3-dimethyl-cyclohex-3-en-1-yl]propanoic acid
CAS Registry Number 122899-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52O10
InChI InChI=1S/C34H52O10/c1-20(2)18-30(39)44-28-19-41-33(32(43-25(8)36)31(28)42-24(7)35)40-17-15-22(5)10-12-27-23(6)11-13-26(21(3)4)34(27,9)16-14-29(37)38/h11,18,22,26-28,31-33H,3,10,12-17,19H2,1-2,4-9H3,(H,37,38)
InChIKey UZVBMAHGKJSTGW-UHFFFAOYSA-N
Molecular Weight 620.780 g/mol
SMILES OC(CCC1(C(C(C)=CCC1C(=C)C)CCC(CCOC1OCC(C(C1OC(=O)C)OC(=O)C)OC(C=C(C)C)=O)C)C)=O
SPLASH splash10-000t-3390000000-c383ccb6ca960b1dceb3
Source of Spectrum J-54-5346-3
Synonyms 3-[2-[5-[3,4-diacetoxy-5-(3-methylbut-2-enoyloxy)tetrahydropyran-2-yl]oxy-3-methyl-pentyl]-6-isopropenyl-1,3-dimethyl-cyclohex-3-en-1-yl]propionic acid 3-[2-[5-[3,4-diacetyloxy-5-(3-methylbut-2-enoyloxy)oxan-2-yl]oxy-3-methyl-pentyl]-1,3-dimethyl-6-prop-1-en-2-yl-cyclohex-3-en-1-yl]propanoic acid 3-[2-[5-[[3,4-diacetyloxy-5-(3-methyl-1-oxobut-2-enoxy)-2-oxanyl]oxy]-3-methylpentyl]-1,3-dimethyl-6-(1-methylethenyl)-1-cyclohex-3-enyl]propanoic acid Spathulasin diacetate
Wiley ID 1411547