STERCOBILINOGEN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H48N4O6
Molecular Weight	596.7574
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H]1[C@@H](C)C(=O)N[C@H]1CC2=C(C)C(CCC(O)=O)=C(CC3=C(CCC(O)=O)C(C)=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)N3)N2

InChI

InChIKey=VKGRRZVYCXLHII-OLFWPHQKSA-N

InChI=1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t16-,19-,20-,21-,26+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H48N4O6
Molecular Weight	596.7574
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:35:09 GMT 2023` Edited by `admin` on `Sat Dec 16 10:35:09 GMT 2023`
Record UNII	91VQJ22OZ5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STERCOBILINOGEN

Common Name

English

(-)-STERCOBILINOGEN

Common Name

English

(2R,3R,4S,16S,17R,18R)-2,17-DIETHYL-1,2,3,4,5,10,15,16,17,18,19,22,23,24-TETRADECAHYDRO-3,7,13,18-TETRAMETHYL-1,19-DIOXO-21H-BILINE-8,12-DIPROPANOIC ACID

Systematic Name

English

21H-BILINE-8,12-DIPROPANOIC ACID, 2,17-DIETHYL-1,2,3,4,5,10,15,16,17,18,19,22,23,24-TETRADECAHYDRO-3,7,13,18-TETRAMETHYL-1,19-DIOXO-, (2R,3R,4S,16S,17R,18R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80904012