Zhankuic acid C

SpectraBase Compound ID	KyPrILBkIow
InChI	InChI=1S/C29H42O6/c1-14(16(3)27(34)35)7-8-15(2)18-9-10-19-23-22(31)13-20-17(4)21(30)11-12-28(20,5)24(23)25(32)26(33)29(18,19)6/h15-21,26,30,33H,1,7-13H2,2-6H3,(H,34,35)/t15-,16?,17+,18?,19?,20?,21-,26+,28?,29?/m1/s1
InChIKey	LVFHKUZOQUATIE-PDAPTWHDSA-N Google Search
Mol Weight	486.6 g/mol
Molecular Formula	C29H42O6
Exact Mass	486.298139 g/mol

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SpectraBase Spectrum ID	1hjiw3Ff6MZ
Name	Zhankuic acid C
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H42O6
InChI	InChI=1S/C29H42O6/c1-14(16(3)27(34)35)7-8-15(2)18-9-10-19-23-22(31)13-20-17(4)21(30)11-12-28(20,5)24(23)25(32)26(33)29(18,19)6/h15-21,26,30,33H,1,7-13H2,2-6H3,(H,34,35)/t15-,16?,17+,18?,19?,20?,21-,26+,28?,29?/m1/s1
InChIKey	LVFHKUZOQUATIE-PDAPTWHDSA-N
Molecular Weight	486.649 g/mol
SMILES	O[C@@]1(C2(C(CCC2C2=C(C3(CC[C@]([C@](C3CC2=O)(C)[H])(O)[H])C)C1=O)[C@@](CCC(C(C(=O)O)C)=C)(C)[H])C)[H]
SPLASH	splash10-000i-0233900000-37101e308b85cc7503b7
Source of Spectrum	G4-58-1660-3
Synonyms	(6R)-6-[(3R,4S,12R)-3,12-dihydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methyleneheptanoic acid (6R)-6-[(3R,4S,12R)-3,12-dihydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid (6R)-6-[(3R,4S,12R)-3,12-dihydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylene-heptanoic acid (6R)-2-methyl-3-methylidene-6-[(3R,4S,12R)-4,10,13-trimethyl-3,12-bis(oxidanyl)-7,11-bis(oxidanylidene)-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
Wiley ID	1606074