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4,9-Phenanthrenediol, 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.,7.beta.,9.beta.,10a.beta.)]-
SpectraBase Compound ID 1dCb1rvVcAX
InChI InChI=1S/C22H34O3/c1-7-21(5)11-8-16-15(13-21)17(25-14(2)23)12-18-20(3,4)10-9-19(24)22(16,18)6/h7,13,16-19,24H,1,8-12H2,2-6H3/t16-,17+,18-,19+,21+,22+/m0/s1
InChIKey MAGLRZHVZZKIIH-MYBSLXOZSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gr6l3bJaRP
Name 4,9-Phenanthrenediol, 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.,7.beta.,9.beta.,10a.beta.)]-
CAS Registry Number 66656-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-7-21(5)11-8-16-15(13-21)17(25-14(2)23)12-18-20(3,4)10-9-19(24)22(16,18)6/h7,13,16-19,24H,1,8-12H2,2-6H3/t16-,17+,18-,19+,21+,22+/m0/s1
InChIKey MAGLRZHVZZKIIH-MYBSLXOZSA-N
Molecular Weight 346.511 g/mol
SMILES O[C@]1([C@@]2([C@@]3(C(=C[C@@](CC3)(C=C)C)[C@@](C[C@]2(C(C)(C)CC1)[H])(OC(=O)C)[H])[H])C)[H]
SPLASH splash10-00di-0092000000-a2c5371f828107a968aa
Source of Spectrum K-111-851-0
Synonyms (1beta,7alpha)-1-hydroxypimara-8(14),15-dien-7-yl acetate 7.alpha.-acetoxy-1.beta.-hydroxysandaracopimar-8(14),15-diene
Wiley ID 1339609