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1,11-Ethanocyclopentacycloundecen-13-one, 1,2,3,3a,4,5,6,7,8,9,10,12a-dodecahydro-5,14-dihydroxy-1,8,12-trimethyl-4-methylene-, [1S-(1R*,3aS*,5S*,8S*,12aR*,14S*)]-
SpectraBase Compound ID J553FHp5qcV
InChI InChI=1S/C20H30O3/c1-11-5-7-15-13(3)17-14(12(2)16(21)8-6-11)9-10-20(17,4)19(23)18(15)22/h11,14,16-18,21-22H,2,5-10H2,1,3-4H3/t11-,14+,16-,17-,18-,20+/m1/s1
InChIKey XYSJCWQYMCTMPK-RQYAOBBUSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvH5M5Erkkk
Name 1,11-Ethanocyclopentacycloundecen-13-one, 1,2,3,3a,4,5,6,7,8,9,10,12a-dodecahydro-5,14-dihydroxy-1,8,12-trimethyl-4-methylene-, [1S-(1R*,3aS*,5S*,8S*,12aR*,14S*)]-
CAS Registry Number 78708-80-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-11-5-7-15-13(3)17-14(12(2)16(21)8-6-11)9-10-20(17,4)19(23)18(15)22/h11,14,16-18,21-22H,2,5-10H2,1,3-4H3/t11-,14+,16-,17-,18-,20+/m1/s1
InChIKey XYSJCWQYMCTMPK-RQYAOBBUSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@]1(C([C@@]2([C@]3([C@](C([C@@](CC[C@@](CCC1=C3C)(C)[H])(O)[H])=C)(CC2)[H])[H])C)=O)[H]
SPLASH splash10-0udi-0912000000-96173ccfc94716bddf48
Source of Spectrum AN-90-495-0
Synonyms (1R,3R,6R,10R,12S,15S)-3,10-dihydroxy-6,12,16-trimethyl-2-methylenetricyclo[7.5.2.0(12,15)]hexadec-9(16)-en-11-one 3.alpha., 9.alpha.-dihydroxy-2-oxo-1(15),8(19)-trinervitdiene
Wiley ID 1318778