FULADECTIN COMPONENT A3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H57NO10S
Molecular Weight	755.957
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@@H]5C[C@@H](C[C@]6(CC[C@H](C)[C@@H](C)O6)O5)OC(=O)[C@H](C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=TYAAZPICKDYUQG-KKCFMQJHSA-N

InChI=1S/C41H57NO10S/c1-25-17-19-40(51-29(25)5)23-34-22-33(52-40)16-11-27(3)37(48-20-18-30-12-14-32(15-13-30)42(6)53(7,46)47)26(2)9-8-10-31-24-49-38-36(43)28(4)21-35(39(44)50-34)41(31,38)45/h8-15,21,25-26,29,33-38,43,45H,16-20,22-24H2,1-7H3/b9-8+,27-11+,31-10+/t25-,26-,29+,33+,34-,35-,36+,37+,38+,40-,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H57NO10S
Molecular Weight	755.957
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	U2I96PJY43
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FULADECTIN COMPONENT A3

Common Name

English

13-(2-(4-(N-METHANESULFONYL-N-METHYLAMINO)PHENYL)ETHOXY)MILBEMYCIN A3

Common Name

English

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

Common Name

English

Code System Code Type Description

PUBCHEM

20055355