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(3S,5S,7S,9S,10S,12R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-2-oxanyl]-9-[(2S)-1-hydroxybutan-2-yl]-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-15-one

View entire compound with spectra: 1 MS (GC)

(3S,5S,7S,9S,10S,12R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-2-oxanyl]-9-[(2S)-1-hydroxybutan-2-yl]-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-15-one
SpectraBase Compound ID Jf4aMh257vR
InChI InChI=1S/C27H44O7/c1-7-20(16-28)23-17(3)15-18(4)26(32-23)12-9-21(29)27(34-26)14-13-24(6,33-27)22-10-11-25(30,8-2)19(5)31-22/h9,12,17-20,22-23,28,30H,7-8,10-11,13-16H2,1-6H3/t17-,18+,19-,20-,22+,23-,24-,25+,26+,27-/m0/s1
InChIKey AMCZUHFVDBXBAU-WPDCUPFPSA-N
Mol Weight 480.6 g/mol
Molecular Formula C27H44O7
Exact Mass 480.308704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2vSQzdbbPs
Name (3S,5S,7S,9S,10S,12R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-2-oxanyl]-9-[(2S)-1-hydroxybutan-2-yl]-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-15-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O7
InChI InChI=1S/C27H44O7/c1-7-20(16-28)23-17(3)15-18(4)26(32-23)12-9-21(29)27(34-26)14-13-24(6,33-27)22-10-11-25(30,8-2)19(5)31-22/h9,12,17-20,22-23,28,30H,7-8,10-11,13-16H2,1-6H3/t17-,18+,19-,20-,22+,23-,24-,25+,26+,27-/m0/s1
InChIKey AMCZUHFVDBXBAU-WPDCUPFPSA-N
Molecular Weight 480.642 g/mol
SMILES O[C@]1([C@@](O[C@@]([C@]2(O[C@]3(O[C@]4(O[C@]([C@](CO)(CC)[H])([C@](C[C@]4(C)[H])(C)[H])[H])C=CC3=O)CC2)C)(CC1)[H])(C)[H])CC
SPLASH splash10-08gr-6933200000-5920c6b9e0e6851030ad
Source of Spectrum KC-0-31-90
Synonyms (3S,5S,7S,9S,10S,12R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-3,10,12-trimethyl-9-[(1S)-1-methylolpropyl]-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-15-one (3S,5S,7S,9S,10S,12R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-9-[(1S)-1-(hydroxymethyl)propyl]-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-15-one (3S,5S,7S,9S,10S,12R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-9-[(2S)-1-hydroxybutan-2-yl]-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-15-one (3S,5S,7S,9S,10S,12R)-3-[(2R,5R,6S)-5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl]-3,10,12-trimethyl-9-[(2S)-1-oxidanylbutan-2-yl]-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-15-one
Wiley ID 824155