Neominophagen C

(2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid;2-aminoacetic acid;(2R)-2-amino-3-sulfanylpropanoic acid

Also Known As: Neominophagen C|neo-Minophagen C|KST-1A7872|(2r,4as,6ar,6as,6br,10s,12as,14bs)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylicacid; 2-aminoacetic acid;(2r)-2-amino-3-sulfanyl-propanoicacid|(2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid;2-aminoacetic acid;(2R)-2-amino-3-sulfanylpropanoic acid|Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,20beta)-, mixt. with L-cysteine and glycine|(2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; 2-aminoacetic acid; (2R)-2-amino-3-sulfanylpropanoic acid

Molecular Formula	C35H58N2O8S
Molecular Weight	666.3914 g/mol
LogP	4.7704
Topological Polar Surface Area	202.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	666.3914
Monoisotopic Mass	666.3914
Heavy Atoms	46
Complexity	1080.0

Chemical Identifiers

CAS Number	7254-33-3
SMILES	C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O.C([C@@H](C(=O)O)N)S.C(C(=O)O)N
InChIKey	WBJOKIMCMNCILB-ZICUSWQYSA-N