Debug Info

object
{15}
_id
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AznYn5c79Gq
spectrumID
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AznYn5c79Gq
cost
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1
specType
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131072
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WMS3X:422839:1
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properties
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analyticalTechnique
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Mass Spectrum (GC)
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compound
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(4aS,10aR)-5,8-dihydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one
SpectraBase Compound ID 7XX7f52B74i
InChI InChI=1S/C20H28O4/c1-10(2)14-17(22)16-13(21)9-12-11(7-6-8-20(12,3)4)15(16)18(23)19(14)24-5/h10-12,22-23H,6-9H2,1-5H3/t11-,12+/m0/s1
InChIKey IWIRJXRGYMGDFV-NWDGAFQWSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AznYn5c79Gq
Name (4aS,10aR)-5,8-dihydroxy-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-10(2)14-17(22)16-13(21)9-12-11(7-6-8-20(12,3)4)15(16)18(23)19(14)24-5/h10-12,22-23H,6-9H2,1-5H3/t11-,12+/m0/s1
InChIKey IWIRJXRGYMGDFV-NWDGAFQWSA-N
Literature Reference DOI 10.1002/cbdv.200590051
Molecular Weight 332.440 g/mol
SMILES Oc1c(c(c(c2c1C(C[C@]1(C(CCC[C@]21[H])(C)C)[H])=O)O)OC)C(C)C
SPLASH splash10-00lr-4109000000-bec5141c6e8338e199b4
Source of Spectrum CBD-2-744-1
Synonyms 20-Norinuroyleanol
Wiley ID 1792491
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