4-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bS)-8a-carbomethoxy-14-keto-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4-keto-butyric acid

SpectraBase Compound ID	LEJdszipDfg
InChI	InChI=1S/C35H52O7/c1-30(2)15-17-35(29(40)41-8)18-16-33(6)21(22(35)20-30)19-23(36)28-32(5)13-12-25(42-27(39)10-9-26(37)38)31(3,4)24(32)11-14-34(28,33)7/h19,22,24-25,28H,9-18,20H2,1-8H3,(H,37,38)/t22-,24+,25+,28-,32+,33-,34-,35+/m1/s1
InChIKey	XKXVGXJZTICEML-YJUOJZGSSA-N Google Search
Mol Weight	584.8 g/mol
Molecular Formula	C35H52O7
Exact Mass	584.371304 g/mol

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SpectraBase Spectrum ID	2rAMIivdsTn
Name	4-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bS)-8a-carbomethoxy-14-keto-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4-keto-butyric acid
Alternate Name(s)	4-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bS)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4-oxidanylidene-butanoic acid 4-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bS)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4-oxo-butanoic acid
CAS Registry Number	112572-47-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C35H52O7
InChI	InChI=1S/C35H52O7/c1-30(2)15-17-35(29(40)41-8)18-16-33(6)21(22(35)20-30)19-23(36)28-32(5)13-12-25(42-27(39)10-9-26(37)38)31(3,4)24(32)11-14-34(28,33)7/h19,22,24-25,28H,9-18,20H2,1-8H3,(H,37,38)/t22-,24+,25+,28-,32+,33-,34-,35+/m1/s1
InChIKey	XKXVGXJZTICEML-YJUOJZGSSA-N
Molecular Weight	584.794 g/mol
SMILES	OC(CCC(O[C@]1(CC[C@@]2([C@]3(C(C=C4[C@]([C@@]3(CC[C@]2(C1(C)C)[H])C)(CC[C@@]1([C@@]4(CC(CC1)(C)C)[H])C(=O)OC)C)=O)[H])C)[H])=O)=O
SPLASH	splash10-014i-5649010000-a7e87426e9b345fac2ea
Source of Spectrum	O-24-106-4
Wiley ID	1408880