5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-13-((Z)-((METHOXYIMINO)PHENYLACETYL)OXY)-25-METHYLMILBEMYCIN B, (6R,13R,25R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H53NO10
Molecular Weight	719.8602
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-13-((Z)-((METHOXYIMINO)PHENYLACETYL)OXY)-25-METHYLMILBEMYCIN B, (6R,13R,25R)-

Structure Search

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@@H](OC(=O)C(=N/OC)\C4=CC=CC=C4)\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=HICUREFSAIZXFQ-JOWPUVSESA-N

InChI=1S/C41H53NO10/c1-7-33-24(2)18-19-40(52-33)22-31-21-30(51-40)17-16-26(4)36(50-39(45)34(42-47-6)28-13-9-8-10-14-28)25(3)12-11-15-29-23-48-37-35(43)27(5)20-32(38(44)49-31)41(29,37)46/h8-16,20,24-25,30-33,35-37,43,46H,7,17-19,21-23H2,1-6H3/b12-11+,26-16+,29-15+,42-34-/t24-,25-,30+,31-,32-,33+,35+,36+,37+,40+,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H53NO10
Molecular Weight	719.8602
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:28:15 GMT 2023` Edited by `admin` on `Sat Dec 16 08:28:15 GMT 2023`
Record UNII	I9Z29I000J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-13-((Z)-((METHOXYIMINO)PHENYLACETYL)OXY)-25-METHYLMILBEMYCIN B, (6R,13R,25R)-

Common Name

English

MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-25-ETHYL-13-(((METHOXYIMINO)PHENYLACETYL)OXY)-, (6R,13R,25R)-

Systematic Name

English

LEPIMECTIN MAJOR COMPONENT

Common Name

English

MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-25-ETHYL-13-(((2Z)-2-(METHOXYIMINO)-2-PHENYLACETYL)OXY)-, (6R,13R,25R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11585730