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ent-12.alpha.,16-epoxy-2.beta.,15.alpha.,19-trihydroxypimar-8(14)-ene
SpectraBase Compound ID KHDWYzXGVHj
InChI InChI=1S/C20H32O4/c1-18(11-21)8-13(22)9-19(2)14-6-17-20(3,16(23)10-24-17)7-12(14)4-5-15(18)19/h7,13-17,21-23H,4-6,8-11H2,1-3H3/t13-,14-,15-,16+,17+,18+,19+,20+/m1/s1
InChIKey SSCNZSNVLHHQET-BJOXDUDZSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByQ9qvwTYyx
Name ent-12.alpha.,16-epoxy-2.beta.,15.alpha.,19-trihydroxypimar-8(14)-ene
Appearance White amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-18(11-21)8-13(22)9-19(2)14-6-17-20(3,16(23)10-24-17)7-12(14)4-5-15(18)19/h7,13-17,21-23H,4-6,8-11H2,1-3H3/t13-,14-,15-,16+,17+,18+,19+,20+/m1/s1
InChIKey SSCNZSNVLHHQET-BJOXDUDZSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np0400407
Optical Rotation [a]D20 = +6.5 (c = 1.40, MeOH)
Reported Formula C20H32O4
SMILES OC[C@@]1(C[C@](C[C@@]2([C@@]1(CCC=1[C@]2(C[C@]2([C@]([C@](CO2)(O)[H])(C1)C)[H])[H])[H])C)(O)[H])C
SPLASH splash10-014i-0910000000-2eaf986dff14f33c93c1
Source of Spectrum G4-67-1519-2
Wiley ID 1881884