Tirucalla-5,24-dien-3.beta.-yl acetate

SpectraBase Compound ID	7qE19U67VH8
InChI	InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,14,22,24-26,28H,10,12-13,15-20H2,1-9H3/t22-,24-,25-,26+,28-,30+,31-,32+/m0/s1
InChIKey	QEIYXUXSECASJG-HQDBFYEGSA-N Google Search
Mol Weight	468.8 g/mol
Molecular Formula	C32H52O2
Exact Mass	468.396731 g/mol

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SpectraBase Spectrum ID	L3APUNyvUqi
Name	Tirucalla-5,24-dien-3.beta.-yl acetate
Alternate Name(s)	(3beta,13alpha,14beta,17alpha,20S)-lanosta-5,24-dien-3-yl acetate Acetic acid [(3S,8R,9S,10R,13S,14R,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,8R,9S,10R,13S,14R,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8R,9S,10R,13S,14R,17S)-17-[(1S)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8R,9S,10R,13S,14R,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H52O2
InChI	InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,14,22,24-26,28H,10,12-13,15-20H2,1-9H3/t22-,24-,25-,26+,28-,30+,31-,32+/m0/s1
InChIKey	QEIYXUXSECASJG-HQDBFYEGSA-N
Molecular Weight	468.766 g/mol
SMILES	C1=2[C@@]([C@]3(CC[C@@]4([C@@]([C@@]3(CC2)[H])(CC[C@]4([C@](CCC=C(C)C)(C)[H])[H])C)C)[H])(CC[C@@](C1(C)C)(OC(=O)C)[H])C
SPLASH	splash10-0gb9-8023900000-f560938abe00e3f9ac74
Source of Spectrum	KC-0-2383-2
Wiley ID	786474