2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetic acid ethyl ester

SpectraBase Compound ID	IwtXlpRZGEz
InChI	InChI=1S/C26H39NO5/c1-5-31-23(29)15-27-24(30)22-9-8-20-19-7-6-17-14-18(32-16(2)28)10-12-25(17,3)21(19)11-13-26(20,22)4/h6,18-22H,5,7-15H2,1-4H3,(H,27,30)/t18-,19-,20-,21-,22+,25-,26-/m0/s1
InChIKey	INRIQWGRQOXYGW-MKPDMXAPSA-N Google Search
Mol Weight	445.6 g/mol
Molecular Formula	C26H39NO5
Exact Mass	445.282823 g/mol

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SpectraBase Spectrum ID	ENfIyoM1EKu
Name	2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetic acid ethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H39NO5
InChI	InChI=1S/C26H39NO5/c1-5-31-23(29)15-27-24(30)22-9-8-20-19-7-6-17-14-18(32-16(2)28)10-12-25(17,3)21(19)11-13-26(20,22)4/h6,18-22H,5,7-15H2,1-4H3,(H,27,30)/t18-,19-,20-,21-,22+,25-,26-/m0/s1
InChIKey	INRIQWGRQOXYGW-MKPDMXAPSA-N
Molecular Weight	445.600 g/mol
SMILES	N(C([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC1)[H])C)[H])=O)CC(=O)OCC
SPLASH	splash10-000i-0029000000-fe93f4077552c1a92046
Source of Spectrum	SK-23-840-7
Synonyms	2-[[[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-oxomethyl]amino]acetic acid ethyl ester Ethyl 2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetate Ethyl 2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]carbonylamino]ethanoate Ethyl 2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetate
Wiley ID	865579