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2-((2S,4aS,5R,7aR,11R,11aS,12aS,12bR)-2,5,8,12a-Tetramethyl-1,2,3,4,4a,5,6,7,7a,9,10,11,11a,12,12a,12b-hexadecahydrodibenzo[a,e]azulen-11-yl)propan-2-ol

View entire compound with spectra: 1 MS (GC)

2-((2S,4aS,5R,7aR,11R,11aS,12aS,12bR)-2,5,8,12a-Tetramethyl-1,2,3,4,4a,5,6,7,7a,9,10,11,11a,12,12a,12b-hexadecahydrodibenzo[a,e]azulen-11-yl)propan-2-ol
SpectraBase Compound ID KyX87SFn08o
InChI InChI=1S/C25H42O/c1-15-7-10-18-16(2)8-12-21-23-17(3)9-11-20(24(4,5)26)19(23)14-25(21,6)22(18)13-15/h15-16,18-22,26H,7-14H2,1-6H3/t15-,16+,18-,19-,20+,21-,22+,25+/m0/s1
InChIKey XGSASURBHJSQQZ-QDCNTALYSA-N
Mol Weight 358.6 g/mol
Molecular Formula C25H42O
Exact Mass 358.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8oi2A3bWRW
Name 2-((2S,4aS,5R,7aR,11R,11aS,12aS,12bR)-2,5,8,12a-Tetramethyl-1,2,3,4,4a,5,6,7,7a,9,10,11,11a,12,12a,12b-hexadecahydrodibenzo[a,e]azulen-11-yl)propan-2-ol
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O
InChI InChI=1S/C25H42O/c1-15-7-10-18-16(2)8-12-21-23-17(3)9-11-20(24(4,5)26)19(23)14-25(21,6)22(18)13-15/h15-16,18-22,26H,7-14H2,1-6H3/t15-,16+,18-,19-,20+,21-,22+,25+/m0/s1
InChIKey XGSASURBHJSQQZ-QDCNTALYSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812216
Molecular Weight 358.610 g/mol
Optical Rotation [a]D25 = +22.9 (c = 0.17, C6D6)
SMILES OC([C@]1([C@@]2(C[C@]3([C@@]4(C[C@](CC[C@]4([C@@](CC[C@]3(C2=C(CC1)C)[H])(C)[H])[H])(C)[H])[H])C)[H])[H])(C)C
SPLASH splash10-00mp-3947000000-c695c1dfb8910fc3c524
Source of Spectrum ACI-58-SM101-8
Thin-Layer Chromatography Rf = 0.78 (cyclohexane/EtOAc, 2:1)
Wiley ID 1840417