3.beta.-[(3',4'-Diacetoxycinnamoyl)oxy]-lup-20(298)-en-28-yl Acetate

SpectraBase Compound ID	AoMoMubiygH
InChI	InChI=1S/C45H62O8/c1-27(2)32-17-22-45(26-50-28(3)46)24-23-43(9)33(40(32)45)13-15-37-42(8)20-19-38(41(6,7)36(42)18-21-44(37,43)10)53-39(49)16-12-31-11-14-34(51-29(4)47)35(25-31)52-30(5)48/h11-12,14,16,25,32-33,36-38,40H,1,13,15,17-24,26H2,2-10H3/b16-12+/t32?,33?,36?,37?,38-,40?,42-,43+,44+,45+/m0/s1
InChIKey	RLTNPSUYHTVNOC-VLHHTSLGSA-N Google Search
Mol Weight	731.0 g/mol
Molecular Formula	C45H62O8
Exact Mass	730.444469 g/mol

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SpectraBase Spectrum ID	BiWkAZy9BY3
Name	3.beta.-[(3',4'-Diacetoxycinnamoyl)oxy]-lup-20(298)-en-28-yl Acetate
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C45H62O8
InChI	InChI=1S/C45H62O8/c1-27(2)32-17-22-45(26-50-28(3)46)24-23-43(9)33(40(32)45)13-15-37-42(8)20-19-38(41(6,7)36(42)18-21-44(37,43)10)53-39(49)16-12-31-11-14-34(51-29(4)47)35(25-31)52-30(5)48/h11-12,14,16,25,32-33,36-38,40H,1,13,15,17-24,26H2,2-10H3/b16-12+/t32?,33?,36?,37?,38-,40?,42-,43+,44+,45+/m0/s1
InChIKey	RLTNPSUYHTVNOC-VLHHTSLGSA-N
Molecular Weight	730.983 g/mol
SMILES	[C@@]12([C@]3(C([C@]4(CC[C@@](C(C4CC3)(C)C)(OC(\C=C\c3cc(OC(=O)C)c(cc3)OC(=O)C)=O)[H])C)CCC1C1C(C(=C)C)CC[C@@]1(CC2)COC(=O)C)C)C
SPLASH	splash10-0019-0910000000-96ed49e72b2562f47cf1
Source of Spectrum	X2-51-220-2
Synonyms	(E)-3-(3,4-diacetyloxyphenyl)-2-propenoic acid [(3aS,5aR,5bR,9S,11aR)-3a-(acetyloxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] ester [(3aS,5aR,5bR,9S,11aR)-3a-(acetoxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate [(3aS,5aR,5bR,9S,11aR)-3a-(acetyloxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
Wiley ID	1602613