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ent-2-oxo-15,16,19-trihydroxypimar-8(14)-ene
SpectraBase Compound ID 9qtnYJ4lS6
InChI InChI=1S/C20H32O4/c1-18(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,15-17,21-22,24H,4-7,9-12H2,1-3H3/t15-,16-,17?,18+,19+,20+/m1/s1
InChIKey DMTGVNZTCBSUQP-JZKVUKHVSA-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 4KLv8SfLq2D
Name ent-2-oxo-15,16,19-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(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,15-17,21-22,24H,4-7,9-12H2,1-3H3/t15-,16-,17?,18+,19+,20+/m1/s1
InChIKey DMTGVNZTCBSUQP-JZKVUKHVSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np0400407
Molecular Weight 336.472 g/mol
Optical Rotation [a]D20 = -29.9 (c = 1.55, MeOH)
Reported Formula C20H32O4
SMILES OC[C@@]1(CC(C[C@@]2([C@@]1(CCC=1[C@]2(CC[C@](C(CO)O)(C1)C)[H])[H])C)=O)C
SPLASH splash10-0adi-1960000000-e036f7af5456214e1ff5
Source of Spectrum G4-67-1521-6
Wiley ID 1881887