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2-[(1S,3S,4R,7E,11R,12S)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-1-cyclotetradec-7-enyl]-2-propenoic acid methyl ester
SpectraBase Compound ID Ar96RMkBkEp
InChI InChI=1S/C21H36O6/c1-14-7-6-11-20(3,25)18(23)13-16(15(2)19(24)27-5)10-12-21(4,26)17(22)9-8-14/h7,16-18,22-23,25-26H,2,6,8-13H2,1,3-5H3/b14-7+/t16-,17+,18-,20+,21-/m0/s1
InChIKey XVIUENHSSMFKJB-SQAKYKOPSA-N
Mol Weight 384.5 g/mol
Molecular Formula C21H36O6
Exact Mass 384.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HoHs4Lfu2BI
Name 2-[(1S,3S,4R,7E,11R,12S)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-1-cyclotetradec-7-enyl]-2-propenoic acid methyl ester
Alternate Name(s) 2-[(1S,3S,4R,7E,11R,12S)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-cyclotetradec-7-en-1-yl]acrylic acid methyl ester Methyl 2-[(1S,3S,4R,7E,11R,12S)-3,4,11,12-tetrahydroxy-4,8,12-trimethyl-cyclotetradec-7-en-1-yl]prop-2-enoate Methyl 2-[(1S,3S,4R,7E,11R,12S)-4,8,12-trimethyl-3,4,11,12-tetrakis(oxidanyl)cyclotetradec-7-en-1-yl]prop-2-enoate Sinuflexibilin
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Formula C21H36O6
InChI InChI=1S/C21H36O6/c1-14-7-6-11-20(3,25)18(23)13-16(15(2)19(24)27-5)10-12-21(4,26)17(22)9-8-14/h7,16-18,22-23,25-26H,2,6,8-13H2,1,3-5H3/b14-7+/t16-,17+,18-,20+,21-/m0/s1
InChIKey XVIUENHSSMFKJB-SQAKYKOPSA-N
Molecular Weight 384.513 g/mol
SMILES O[C@]1([C@](C[C@](CC[C@@]([C@@](CC\C(=C\CC1)C)(O)[H])(O)C)(C(C(=O)OC)=C)[H])(O)[H])C
SPLASH splash10-0006-9000000000-e48b51ed89be0cc06a3c
Source of Spectrum G4-61-846-3
Wiley ID 1607291