Neominophagen C
[CAS# 70242-82-9]

Identification

• Name: Neominophagen C
• Synonyms: (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-Sulfanyl-Propanoic Acid; (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-Mercaptopropanoic Acid
• Molecular Formula: C₃₅H₅₈N₂O₈S
• Molecular Weight: 666.91
• CAS Registry Number: 70242-82-9
• SMILES: [C@@H]14[C@]([C@]2(C(=CC1=O)[C@@H]3[C@@](CC2)(CC[C@](C3)(C(=O)O)C)C)C)(CCC5[C@@]4(CC[C@H](O)C5(C)C)C)C.[C@@H](N)(C(=O)O)CS.C(N)C(=O)O
• InChI: 1S/C30H46O4.C3H7NO2S.C2H5NO2/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;4-2(1-7)3(5)6;3-1-2(4)5/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);2,7H,1,4H2,(H,5,6);1,3H2,(H,4,5)/t19-,21?,22+,23-,26-,27-,28+,29-,30-;2-;/m10./s1
• InChIKey: WBJOKIMCMNCILB-ZICUSWQYSA-N

Properties

• Boiling point: 588.3°C at 760 mmHg (Cal.)
• Flash point: 323.7°C (Cal.)