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ENT-3-BETA,12-BETA-DIHYDROXY-13-EPI-MANOYL-OXIDE
SpectraBase Compound ID 4BTKjhde0jW
InChI InChI=1S/C20H34O3/c1-7-19(5)16(22)12-14-18(4)10-9-15(21)17(2,3)13(18)8-11-20(14,6)23-19/h7,13-16,21-22H,1,8-12H2,2-6H3/t13?,14?,15-,16+,18-,19+,20+/m1/s1
InChIKey LYERZHNUEQDXPY-VDSAWRTASA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YZpkV6WrhA
Name 12-Epivarodiol
CAS Registry Number 92419-30-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-7-19(5)16(22)12-14-18(4)10-9-15(21)17(2,3)13(18)8-11-20(14,6)23-19/h7,13-16,21-22H,1,8-12H2,2-6H3/t13?,14?,15-,16+,18-,19+,20+/m1/s1
InChIKey LYERZHNUEQDXPY-VDSAWRTASA-N
Molecular Weight 322.489 g/mol
SMILES O[C@@]1([C@@](O[C@@]2(C([C@@]3(CC[C@](C(C3CC2)(C)C)(O)[H])C)C1)C)(C=C)C)[H]
SPLASH splash10-05bf-3910000000-fc5b7820226114b8d740
Source of Spectrum J-49-4724-0
Synonyms ent-3.alpha.,12.alpha.-Dihydroxy-13-epi-manoyl oxide (2S,3S,4aS,8R,10aR)-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromene-2,8-diol
Wiley ID 1322024