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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H51NO10
Molecular Weight	705.8336
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-25-ETHYL-13-((Z)-((METHOXYIMINO)PHENYLACETYL)OXY)MILBEMYCIN 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](C)O6)O5)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=ARIWUAYYZGKZQD-WLLLSCRYSA-N

InChI=1S/C40H51NO10/c1-23-17-18-39(50-27(23)5)21-31-20-30(51-39)16-15-25(3)35(49-38(44)33(41-46-6)28-12-8-7-9-13-28)24(2)11-10-14-29-22-47-36-34(42)26(4)19-32(37(43)48-31)40(29,36)45/h7-15,19,23-24,27,30-32,34-36,42,45H,16-18,20-22H2,1-6H3/b11-10+,25-15+,29-14+,41-33-/t23-,24-,27+,30+,31-,32-,34+,35+,36+,39-,40+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H51NO10
Molecular Weight	705.8336
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 09:39:56 GMT 2023` Edited by `admin` on `Sat Dec 16 09:39:56 GMT 2023`
Record UNII	3EY4DOQ02C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Systematic Name

English

LEPIMECTIN MINOR COMPONENT

Common Name

English

Code System Code Type Description

CAS

171249-10-8