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2,8-Chrysenediol, 4b,5,6,10b,11,12-hexahydro-4b,11,11-trimethyl-, trans-(.+-.)-
SpectraBase Compound ID AhClMt0HW0q
InChI InChI=1S/C21H24O2/c1-20(2)12-14-11-16(23)5-7-18(14)21(3)9-8-13-10-15(22)4-6-17(13)19(20)21/h4-7,10-11,19,22-23H,8-9,12H2,1-3H3/t19-,21-/m1/s1
InChIKey JTKIWBVBLYPBES-TZIWHRDSSA-N
Mol Weight 308.42 g/mol
Molecular Formula C21H24O2
Exact Mass 308.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Knc55ZyCjb
Name 2,8-Chrysenediol, 4b,5,6,10b,11,12-hexahydro-4b,11,11-trimethyl-, trans-(.+-.)-
Alternate Name(s) (4bS,10bR)-4b,11,11-trimethyl-4b,5,6,10b,11,12-hexahydro-2,8-chrysenediol 5,5,10b-trimethyl-trans-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol
CAS Registry Number 119047-39-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O2
InChI InChI=1S/C21H24O2/c1-20(2)12-14-11-16(23)5-7-18(14)21(3)9-8-13-10-15(22)4-6-17(13)19(20)21/h4-7,10-11,19,22-23H,8-9,12H2,1-3H3/t19-,21-/m1/s1
InChIKey JTKIWBVBLYPBES-TZIWHRDSSA-N
Molecular Weight 308.421 g/mol
SMILES Oc1ccc2c(CC([C@@]3([C@@]2(CCc2cc(ccc32)O)C)[H])(C)C)c1
SPLASH splash10-052f-1972000000-b817d4c8f6a74a6a3f4d
Source of Spectrum B-41-744-2
Wiley ID 1310320