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3.beta.-hydroxyclerod-4(18)-en-15-oic acid

View entire compound with spectra: 1 MS (GC)

3.beta.-hydroxyclerod-4(18)-en-15-oic acid
SpectraBase Compound ID 2L1BAgV6x2V
InChI InChI=1S/C20H34O3/c1-13(12-18(22)23)8-10-19(4)14(2)9-11-20(5)15(3)16(21)6-7-17(19)20/h13-14,16-17,21H,3,6-12H2,1-2,4-5H3,(H,22,23)/t13?,14-,16+,17-,19+,20+/m1/s1
InChIKey NYQNQWSIOPKYIW-CJBNWJPUSA-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 4vxGoqzg8sK
Name 3.beta.-hydroxyclerod-4(18)-en-15-oic acid
Alternate Name(s) 5-[(1S,2R,4aR,6S,8aR)-6-hydroxy-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]-3-methylpentanoic acid 6-Hydroxy-decahydro-.beta.,1,2,4a-tetramethyl-5-methylenenaphthalene-1-pentanoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-13(12-18(22)23)8-10-19(4)14(2)9-11-20(5)15(3)16(21)6-7-17(19)20/h13-14,16-17,21H,3,6-12H2,1-2,4-5H3,(H,22,23)/t13?,14-,16+,17-,19+,20+/m1/s1
InChIKey NYQNQWSIOPKYIW-CJBNWJPUSA-N
Molecular Weight 322.489 g/mol
SMILES OC(CC(CC[C@@]1([C@@]2([C@](C([C@](CC2)(O)[H])=C)(CC[C@]1(C)[H])C)[H])C)C)=O
SPLASH splash10-0a4r-6921000000-5818ee3becaa1491d5f3
Source of Spectrum H-86-3192-10
Wiley ID 1525664