2-[[(4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid

SpectraBase Compound ID	GIftCc6RCwn
InChI	InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17?,18-,19+,20-,21+,22+,25+,26-/m1/s1
InChIKey	XBSQTYHEGZTYJE-BPNNUEQISA-N Google Search
Mol Weight	433.6 g/mol
Molecular Formula	C26H43NO4
Exact Mass	433.319209 g/mol

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SpectraBase Spectrum ID	8EX3ZjIdoPR
Name	2-[[(4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid
Alternate Name(s)	2-[[(4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]acetic acid 2-[[(4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
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Formula	C26H43NO4
InChI	InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17?,18-,19+,20-,21+,22+,25+,26-/m1/s1
InChIKey	XBSQTYHEGZTYJE-BPNNUEQISA-N
Molecular Weight	433.633 g/mol
SMILES	O[C@@]1(CC[C@]2(C(CC[C@]3([C@]4([C@@]([C@@]([C@@](CCC(NCC(=O)O)=O)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH	splash10-014i-2910200000-428f24cf7f7402f76bac
Source of Spectrum	BS-5-78-0
Wiley ID	1382710