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4,5,9-Phenanthrenetriol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, 9-acetate, [4R-(4.alpha.,4a.alpha.,4b.beta.,5.beta.,7.beta.,9.beta.,10a.beta.)]-
SpectraBase Compound ID HNkZ6kycTBO
InChI InChI=1S/C22H34O4/c1-7-21(5)11-14-16(26-13(2)23)10-17-20(3,4)9-8-18(25)22(17,6)19(14)15(24)12-21/h7,11,15-19,24-25H,1,8-10,12H2,2-6H3/t15-,16-,17+,18-,19-,21+,22-/m1/s1
InChIKey JYRVWSHVTWUSDU-OAWXYTOASA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdcGzH3noeJ
Name 4,5,9-Phenanthrenetriol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, 9-acetate, [4R-(4.alpha.,4a.alpha.,4b.beta.,5.beta.,7.beta.,9.beta.,10a.beta.)]-
CAS Registry Number 66656-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-7-21(5)11-14-16(26-13(2)23)10-17-20(3,4)9-8-18(25)22(17,6)19(14)15(24)12-21/h7,11,15-19,24-25H,1,8-10,12H2,2-6H3/t15-,16-,17+,18-,19-,21+,22-/m1/s1
InChIKey JYRVWSHVTWUSDU-OAWXYTOASA-N
Molecular Weight 362.510 g/mol
SMILES O[C@@]1(C[C@](C=C2[C@]1([C@]1([C@@](CCC([C@@]1(C[C@]2(OC(=O)C)[H])[H])(C)C)(O)[H])C)[H])(C=C)C)[H]
SPLASH splash10-0fsi-0096000000-d2a99aa102cd5b876764
Source of Spectrum K-111-851-0
Synonyms (1beta,7alpha,11alpha)-1,11-dihydroxypimara-8(14),15-dien-7-yl acetate 7.alpha.-acetoxy-1.beta.,11.alpha.-dihydroxysandaracopimar-8(14),15-diene
Wiley ID 1349838