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1,7-Dioxaspiro[5.5]undecan-4-ol, 2-(6-hydroxy-3,5-dimethyl-2-hexenyl)-8,9-dimethyl-, 4-benzoate, [2R-[2.alpha.(2E,5R*),4.alpha.,6.beta.(8R*,9S*)]]-

View entire compound with spectra: 1 MS (GC)

1,7-Dioxaspiro[5.5]undecan-4-ol, 2-(6-hydroxy-3,5-dimethyl-2-hexenyl)-8,9-dimethyl-, 4-benzoate, [2R-[2.alpha.(2E,5R*),4.alpha.,6.beta.(8R*,9S*)]]-
SpectraBase Compound ID HoLs9yUVpbO
InChI InChI=1S/C26H38O5/c1-18(14-19(2)17-27)10-11-23-15-24(29-25(28)22-8-6-5-7-9-22)16-26(31-23)13-12-20(3)21(4)30-26/h5-10,19-21,23-24,27H,11-17H2,1-4H3/b18-10+/t19-,20+,21-,23-,24+,26+/m1/s1
InChIKey STLJQOHYSJBCNU-AVWDKSNTSA-N
Mol Weight 430.6 g/mol
Molecular Formula C26H38O5
Exact Mass 430.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UdJhGGNNqG
Name 1,7-Dioxaspiro[5.5]undecan-4-ol, 2-(6-hydroxy-3,5-dimethyl-2-hexenyl)-8,9-dimethyl-, 4-benzoate, [2R-[2.alpha.(2E,5R*),4.alpha.,6.beta.(8R*,9S*)]]-
CAS Registry Number 127785-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O5
InChI InChI=1S/C26H38O5/c1-18(14-19(2)17-27)10-11-23-15-24(29-25(28)22-8-6-5-7-9-22)16-26(31-23)13-12-20(3)21(4)30-26/h5-10,19-21,23-24,27H,11-17H2,1-4H3/b18-10+/t19-,20+,21-,23-,24+,26+/m1/s1
InChIKey STLJQOHYSJBCNU-AVWDKSNTSA-N
Molecular Weight 430.585 g/mol
SMILES OC[C@@](C\C(=C\C[C@]1(O[C@]2(O[C@](C)([C@](CC2)(C)[H])[H])C[C@@](OC(=O)c2ccccc2)(C1)[H])[H])C)(C)[H]
SPLASH splash10-001i-0900000000-982a7d1a54aeee5735b9
Source of Spectrum F-45-7185-36
Synonyms (+)-[2r(3E,5R)4S,6S,8R,9S]-2-[6-hydroxy-3,5-dimethyl-2-hexenyl]-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol (2R,4S,6R,8R,9S)-2-[(2E,5R)-6-hydroxy-3,5-dimethyl-2-hexenyl]-8,9-dimethyl-1,7-dioxaspiro[5.5]undec-4-yl benzoate benzoic acid[(3S,4R,6R,8S,10R)-10-[(E,5R)-6-hydroxy-3,5-dimethyl-hex-2-enyl]-3,4-dimethyl-5,11-dioxaspiro[5.5]undecan-8-yl]ester [(3S,4R,6R,8S,10R)-10-[(E,5R)-3,5-dimethyl-6-oxidanyl-hex-2-enyl]-3,4-dimethyl-5,11-dioxaspiro[5.5]undecan-8-yl]benzoate [(3S,4R,6R,8S,10R)-10-[(E,5R)-6-hydroxy-3,5-dimethyl-hex-2-enyl]-3,4-dimethyl-5,11-dioxaspiro[5.5]undecan-8-yl]benzoate benzoic acid [(2R,4S,6R,8R,9S)-2-[(E,5R)-6-hydroxy-3,5-dimethylhex-2-enyl]-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] ester [(2R,4S,6R,8R,9S)-2-[(E,5R)-6-hydroxy-3,5-dimethylhex-2-enyl]-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] benzoate [(2R,4S,6R,8R,9S)-2-[(E,5R)-6-hydroxy-3,5-dimethyl-hex-2-enyl]-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] benzoate [(2R,4S,6R,8R,9S)-2-[(E,5R)-3,5-dimethyl-6-oxidanyl-hex-2-enyl]-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] benzoate
Wiley ID 1381671