(6R,25S)-5-O-DEMETHYL-28-DEOXY-25-((E)-1,3-DIMETHYL-4-HYROXY-1-BUTENYL)-6,28-EPOXY-23-OXOMILBEMYCIN B 23-(E)-(O-METHYLOXIME)

Details

Stereochemistry	MIXED
Molecular Formula	C37H53NO9
Molecular Weight	655.818
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 11
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of (6R,25S)-5-O-DEMETHYL-28-DEOXY-25-((E)-1,3-DIMETHYL-4-HYROXY-1-BUTENYL)-6,28-EPOXY-23-OXOMILBEMYCIN B 23-(E)-(O-METHYLOXIME)

Structure Search

SMILES

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

InChI

InChIKey=QQXSIDHFMYMYKA-RHGJSHTOSA-N

InChI=1S/C37H53NO9/c1-21-9-8-10-27-20-44-34-32(40)24(4)15-30(37(27,34)42)35(41)45-29-16-28(12-11-22(2)13-21)46-36(17-29)18-31(38-43-7)26(6)33(47-36)25(5)14-23(3)19-39/h8-11,14-15,21,23,26,28-30,32-34,39-40,42H,12-13,16-20H2,1-7H3/b9-8+,22-11+,25-14+,27-10+,38-31+/t21-,23?,26-,28+,29-,30-,32+,33?,34+,36-,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H53NO9
Molecular Weight	655.818
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	9 / 11
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:12:14 UTC 2023` Edited by `admin` on `Sat Dec 16 15:12:14 UTC 2023`
Record UNII	BA5PW69PN2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(6R,25S)-5-O-DEMETHYL-28-DEOXY-25-((E)-1,3-DIMETHYL-4-HYROXY-1-BUTENYL)-6,28-EPOXY-23-OXOMILBEMYCIN B 23-(E)-(O-METHYLOXIME)

Common Name

English

MOXIDECTIN METABOLITE M3

Common Name

English

Code System Code Type Description

PUBCHEM

156596717

Created by admin on Sat Dec 16 15:12:14 UTC 2023 , Edited by admin on Sat Dec 16 15:12:14 UTC 2023

PRIMARY

FDA UNII

BA5PW69PN2

Created by admin on Sat Dec 16 15:12:14 UTC 2023 , Edited by admin on Sat Dec 16 15:12:14 UTC 2023

PRIMARY

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