3''-N-DEMETHYL-3''-N-FORMYLCLARITHROMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H67NO14
Molecular Weight	761.9369
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3''-N-DEMETHYL-3''-N-FORMYLCLARITHROMYCIN

Structure Search

SMILES

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C=O)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC

InChI

InChIKey=MQUSOKRVLWZDKB-KCBOHYOISA-N

InChI=1S/C38H67NO14/c1-14-26-38(10,46)31(43)21(4)28(41)19(2)16-37(9,48-13)33(53-35-29(42)25(39(11)18-40)15-20(3)49-35)22(5)30(23(6)34(45)51-26)52-27-17-36(8,47-12)32(44)24(7)50-27/h18-27,29-33,35,42-44,46H,14-17H2,1-13H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C38H67NO14
Molecular Weight	761.9369
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:26:43 GMT 2023` Edited by `admin` on `Sat Dec 16 11:26:43 GMT 2023`
Record UNII	BT9J2WL9SG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3''-N-DEMETHYL-3''-N-FORMYLCLARITHROMYCIN

Common Name

English

ERYTHROMYCIN, N-DEMETHYL-N-FORMYL-6-O-METHYL-

Common Name

English

N-DEMETHYL-N-FORMYL-6-O-METHYLERYTHROMYCIN

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60747469