FULADECTIN COMPONENT A4

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H59NO10S
Molecular Weight	769.984
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@@H](OCCC4=CC=C(C=C4)N(C)S(C)(=O)=O)\C(C)=C\C[C@]5([H])C[C@@]([H])(C[C@]6(CC[C@H](C)[C@@H](CC)O6)O5)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=XJOFEBZJEMUNMY-QZCZRXKPSA-N

InChI=1S/C42H59NO10S/c1-8-36-26(2)18-20-41(53-36)24-34-23-33(52-41)17-12-28(4)38(49-21-19-30-13-15-32(16-14-30)43(6)54(7,47)48)27(3)10-9-11-31-25-50-39-37(44)29(5)22-35(40(45)51-34)42(31,39)46/h9-16,22,26-27,33-39,44,46H,8,17-21,23-25H2,1-7H3/b10-9+,28-12+,31-11+/t26-,27-,33+,34-,35-,36+,37+,38+,39+,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H59NO10S
Molecular Weight	769.984
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:43:22 UTC 2023` Edited by `admin` on `Sat Dec 16 01:43:22 UTC 2023`
Record UNII	9BU074500U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FULADECTIN COMPONENT A4

Common Name

English

MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-25-ETHYL-13-(2-(4-(METHYL(METHYLSULFONYL)AMINO)PHENYL)ETHOXY)-, (6R,13R,25R)-

Common Name

English

Code System Code Type Description

CAS

150702-32-2