3-O-[(2'-tetracosyloxy)acetyl]-lupeol

SpectraBase Compound ID	5EWRuOGYtsp
InChI	InChI=1S/C56H100O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-42-58-43-50(57)59-49-33-32-47-46(52(49,4)5)36-39-56(9)54(47,7)38-35-48-51-45(44(2)3)34-37-53(51,6)40-41-55(48,56)8/h45-49,51H,2,10-43H2,1,3-9H3/t45-,46?,47?,48?,49-,51?,53+,54-,55+,56+/m0/s1
InChIKey	ISXIIIZYPDOGPJ-XBVGDQLFSA-N Google Search
Mol Weight	821.4 g/mol
Molecular Formula	C56H100O3
Exact Mass	820.767247 g/mol

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SpectraBase Spectrum ID	BiyKVs0ZDP7
Name	3-O-[(2'-tetracosyloxy)acetyl]-lupeol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C56H100O3
InChI	InChI=1S/C56H100O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-42-58-43-50(57)59-49-33-32-47-46(52(49,4)5)36-39-56(9)54(47,7)38-35-48-51-45(44(2)3)34-37-53(51,6)40-41-55(48,56)8/h45-49,51H,2,10-43H2,1,3-9H3/t45-,46?,47?,48?,49-,51?,53+,54-,55+,56+/m0/s1
InChIKey	ISXIIIZYPDOGPJ-XBVGDQLFSA-N
Molecular Weight	821.413 g/mol
SMILES	[C@]12([C@]3(C(C4[C@](C(=C)C)(CC[C@@]4(CC3)C)[H])CC[C@]2(C2C(C([C@@](OC(=O)COCCCCCCCCCCCCCCCCCCCCCCCC)(CC2)[H])(C)C)CC1)C)C)C
SPLASH	splash10-0670-0460900000-69a3b1c4646e67fd5e50
Source of Spectrum	G4-69-66-3
Synonyms	2-tetracosoxyacetic acid [(1R,3aR,5aR,5bR,9S,11bS)-3a,5a,5b,8,8,11b-hexamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11a,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] ester [(1R,3aR,5aR,5bR,9S,11bS)-3a,5a,5b,8,8,11b-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11a,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] 2-tetracosoxyacetate [(1R,3aR,5aR,5bR,9S,11bS)-1-isopropenyl-3a,5a,5b,8,8,11b-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11a,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] 2-tetracosoxyacetate [(1R,3aR,5aR,5bR,9S,11bS)-3a,5a,5b,8,8,11b-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11a,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] 2-tetracosoxyethanoate
Wiley ID	1694640