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Calyculaglycoside A

View entire compound with spectra: 1 MS (GC)

Calyculaglycoside A
SpectraBase Compound ID GZA9tJx5bpI
InChI InChI=1S/C30H48O8/c1-19-10-8-11-20(2)14-16-24(15-13-19)21(3)12-9-17-30(6,7)38-29-27(34)28(36-23(5)32)26(33)25(37-29)18-35-22(4)31/h10,12,14,24-29,33-34H,8-9,11,13,15-18H2,1-7H3/b19-10+,20-14+,21-12+/t24-,25+,26+,27+,28-,29-/m0/s1
InChIKey UQBXPJSEBVIDIT-WKANXDSWSA-N
Mol Weight 536.7 g/mol
Molecular Formula C30H48O8
Exact Mass 536.334918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNQ3Irk58Uv
Name Calyculaglycoside A
Alternate Name(s) (4E)-5-[(1S)-4,8-dimethyl-3,7-cyclodecadien-1-yl]-1,1-dimethyl-4-hexenyl 3,6-di-O-acetylhexopyranoside Acetic acid 2-acetoxymethyl-6-[(E)-5-((3E,7E)-(S)-4,8-dimethyl-cyclodeca-3,7-dienyl)-1,1-dimethyl-hex-4-enyloxy]-3,5-dihydroxy-tetrahydro-pyran-4-yl ester Acetic acid [4-acetyloxy-6-[(E)-6-[(1S,3E,7E)-4,8-dimethyl-1-cyclodeca-3,7-dienyl]-2-methylhept-5-en-2-yl]oxy-3,5-dihydroxy-2-oxanyl]methyl ester [4-acetyloxy-6-[(E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhept-5-en-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl acetate [4-acetoxy-6-[(E)-5-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-1,1-dimethyl-hex-4-enoxy]-3,5-dihydroxy-tetrahydropyran-2-yl]methyl acetate [4-acetyloxy-6-[(E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methyl-hept-5-en-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]methyl ethanoate
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Formula C30H48O8
InChI InChI=1S/C30H48O8/c1-19-10-8-11-20(2)14-16-24(15-13-19)21(3)12-9-17-30(6,7)38-29-27(34)28(36-23(5)32)26(33)25(37-29)18-35-22(4)31/h10,12,14,24-29,33-34H,8-9,11,13,15-18H2,1-7H3/b19-10+,20-14+,21-12+/t24-,25+,26+,27+,28-,29-/m0/s1
InChIKey UQBXPJSEBVIDIT-WKANXDSWSA-N
Molecular Weight 536.706 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]([C@]1(OC(=O)C)[H])(O)[H])(OC(CC\C=C\([C@@]1(C\C=C\(CC\C=C\(CC1)C)C)[H])C)(C)C)[H])(COC(=O)C)[H])[H]
SPLASH splash10-00xu-4910000000-4531c8590ba1821f962a
Source of Spectrum J-62-7187-1
Wiley ID 1404094