MOXIDECTIN, 8-HYDROXYMETHYL-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H53NO9
Molecular Weight	655.818
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of MOXIDECTIN, 8-HYDROXYMETHYL-

Structure Search

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(CO)=C\C[C@@H]4C[C@@H](C[C@]5(C\C(=N/OC)[C@H](C)[C@H](O5)C(\C)=C\C(C)C)O4)OC(=O)[C@H](C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=LSCMVEMQQBZGND-XJGZPOSUSA-N

InChI=1S/C37H53NO9/c1-21(2)13-24(5)33-25(6)31(38-43-7)18-36(47-33)17-29-16-28(46-36)12-11-26(19-39)14-22(3)9-8-10-27-20-44-34-32(40)23(4)15-30(35(41)45-29)37(27,34)42/h8-11,13,15,21-22,25,28-30,32-34,39-40,42H,12,14,16-20H2,1-7H3/b9-8+,24-13+,26-11-,27-10+,38-31+/t22-,25-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H53NO9
Molecular Weight	655.818
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:41:37 UTC 2023` Edited by `admin` on `Sat Dec 16 14:41:37 UTC 2023`
Record UNII	CUE6NTY2Y4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MOXIDECTIN, 8-HYDROXYMETHYL-

Common Name

English

MOXIDECTIN METABOLITE M4 (HYDROXYLATION METABOLITE)

Common Name

English

MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-25-(1,3-DIMETHYL-1-BUTENYL)-6,28-EPOXY-30-HYDROXY-23-(METHOXYIMINO)-, (6R,23E,25S(E))-

Common Name

English

Code System Code Type Description

CAS

152830-04-1

Created by admin on Sat Dec 16 14:41:37 UTC 2023 , Edited by admin on Sat Dec 16 14:41:37 UTC 2023

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PUBCHEM

137528209

Created by admin on Sat Dec 16 14:41:37 UTC 2023 , Edited by admin on Sat Dec 16 14:41:37 UTC 2023

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FDA UNII

CUE6NTY2Y4

Created by admin on Sat Dec 16 14:41:37 UTC 2023 , Edited by admin on Sat Dec 16 14:41:37 UTC 2023

PRIMARY

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MOXIDECTIN

PARENT -> METABOLITE