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Methyl ester of (1R-(1.alpha.,2.beta.,3.beta.,4a.alpha.,8a.beta.,10a.alpha.))-tetradecahydro-2,3-dihydroxy-2,4b,8,8,10a-pentamethyl-1-phenanthrenecarboxylic acid
SpectraBase Compound ID Fa87VuaQG2z
InChI InChI=1S/C21H36O4/c1-18(2)9-7-10-19(3)13(18)8-11-20(4)14(19)12-15(22)21(5,24)16(20)17(23)25-6/h13-16,22,24H,7-12H2,1-6H3/t13-,14-,15-,16-,19?,20+,21+/m1/s1
InChIKey HQMIBKITXHMBHZ-NIGBPBDMSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfuZFbH8nep
Name Methyl ester of (1R-(1.alpha.,2.beta.,3.beta.,4a.alpha.,8a.beta.,10a.alpha.))-tetradecahydro-2,3-dihydroxy-2,4b,8,8,10a-pentamethyl-1-phenanthrenecarboxylic acid
Alternate Name(s) Methyl (5beta,8alpha,12beta,13alpha,14alpha)-12,13-dihydroxy-8,13-dimethylpodocarpane-14-carboxylate
CAS Registry Number 72264-63-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-18(2)9-7-10-19(3)13(18)8-11-20(4)14(19)12-15(22)21(5,24)16(20)17(23)25-6/h13-16,22,24H,7-12H2,1-6H3/t13-,14-,15-,16-,19?,20+,21+/m1/s1
InChIKey HQMIBKITXHMBHZ-NIGBPBDMSA-N
Molecular Weight 352.515 g/mol
SMILES O[C@@]1([C@@]([C@@]2([C@](C[C@]1(O)[H])(C1(CCCC([C@]1(CC2)[H])(C)C)C)[H])C)(C(=O)OC)[H])C
SPLASH splash10-0fb9-4795000000-d7ed390f9e9a3c1aec33
Source of Spectrum J-45-514-0
Wiley ID 1343510