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3,4,10a(1H)-Phenanthrenetriol, 2-ethenyldodecahydro-2,4b,8,8-tetramethyl-, 4-acetate, [2S-(2.alpha.,3.beta.,4.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-

View entire compound with spectra: 1 MS (GC)

3,4,10a(1H)-Phenanthrenetriol, 2-ethenyldodecahydro-2,4b,8,8-tetramethyl-, 4-acetate, [2S-(2.alpha.,3.beta.,4.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-
SpectraBase Compound ID AJEL3HHnpIx
InChI InChI=1S/C22H36O4/c1-7-20(5)13-22(25)12-9-15-19(3,4)10-8-11-21(15,6)17(22)16(18(20)24)26-14(2)23/h7,15-18,24-25H,1,8-13H2,2-6H3/t15-,16-,17+,18+,20-,21-,22+/m1/s1
InChIKey XRUZTSUOYFFTBZ-BDTXQGIKSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RO3CBNpjaW
Name 3,4,10a(1H)-Phenanthrenetriol, 2-ethenyldodecahydro-2,4b,8,8-tetramethyl-, 4-acetate, [2S-(2.alpha.,3.beta.,4.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-
Alternate Name(s) (5beta,8alpha,9beta,10alpha,11beta,12alpha,13alpha)-8,12-dihydroxypimar-15-en-11-yl acetate 11.alpha.-acetoxysandaracopimar-15-ene-8.beta.,12.beta.-diol
CAS Registry Number 41756-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-7-20(5)13-22(25)12-9-15-19(3,4)10-8-11-21(15,6)17(22)16(18(20)24)26-14(2)23/h7,15-18,24-25H,1,8-13H2,2-6H3/t15-,16-,17+,18+,20-,21-,22+/m1/s1
InChIKey XRUZTSUOYFFTBZ-BDTXQGIKSA-N
Molecular Weight 364.526 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@](CC[C@]3([C@]2(CCCC3(C)C)C)[H])(C[C@]1(C=C)C)O)[H])(OC(=O)C)[H])[H]
SPLASH splash10-05o3-9520000000-d0355d02374d692e74bc
Source of Spectrum EP-2897-0-0
Wiley ID 1351008