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11-Hydroxy-7H.alpha.,10H.beta.-eremophil-4(15)-ene
SpectraBase Compound ID Avk3RzkipcW
InChI InChI=1S/C27H42O9/c1-15-9-8-10-19-11-12-20(13-27(15,19)7)26(5,6)36-25-22(31)24(34-18(4)30)23(33-17(3)29)21(35-25)14-32-16(2)28/h19-25,31H,1,8-14H2,2-7H3/t19-,20-,21-,22-,23-,24-,25+,27-/m1/s1
InChIKey WRFCSYVHBATOBX-QEQROKPYSA-N
Mol Weight 510.6 g/mol
Molecular Formula C27H42O9
Exact Mass 510.282883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yIE5tseJy1
Name 11-Hydroxy-7H.alpha.,10H.beta.-eremophil-4(15)-ene
Appearance White needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O9
InChI InChI=1S/C27H42O9/c1-15-9-8-10-19-11-12-20(13-27(15,19)7)26(5,6)36-25-22(31)24(34-18(4)30)23(33-17(3)29)21(35-25)14-32-16(2)28/h19-25,31H,1,8-14H2,2-7H3/t19-,20-,21-,22-,23-,24-,25+,27-/m1/s1
InChIKey WRFCSYVHBATOBX-QEQROKPYSA-N
Instrument Name Bruker Daltonics Analysis 3.2
Ionization Type EI
Literature Reference DOI 10.1021/np0604073
Molecular Weight 510.624 g/mol
Optical Rotation [a]D25 = +20.0 (c = 0.20, CHCl3)
SMILES O[C@]1([C@@](O[C@@]([C@]([C@@]1(OC(C)=O)[H])(OC(C)=O)[H])(COC(C)=O)[H])(OC([C@]1(C[C@]2([C@@](CC1)(CCCC2=C)[H])C)[H])(C)C)[H])[H]
SPLASH splash10-0pvi-0690000000-ae776f19d0e2bcf56b78
Source of Spectrum G4-69-1828-8
Synonyms 11-O-.beta.-D-(3'-O,4'-O,6'-O-triacetyl)glucopyranoside
Wiley ID 1874061