MILBEMYCIN A3 5-OXIME

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H43NO7
Molecular Weight	541.6756
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

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(CC[C@H](C)[C@@H](C)O5)O4)OC(=O)[C@H](C=C(C)C1=NO)[C@@]23O

InChI

InChIKey=VDBGCWFGLMXRIK-RUTOLCLOSA-N

InChI=1S/C31H43NO7/c1-18-7-6-8-23-17-36-28-27(32-35)21(4)14-26(31(23,28)34)29(33)37-25-15-24(10-9-19(2)13-18)39-30(16-25)12-11-20(3)22(5)38-30/h6-9,14,18,20,22,24-26,28,34-35H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+,32-27-/t18-,20-,22+,24+,25-,26-,28+,30-,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H43NO7
Molecular Weight	541.6756
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:08:01 UTC 2023` Edited by `admin` on `Fri Dec 15 16:08:01 UTC 2023`
Record UNII	053YPP1I9C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MILBEMYCIN A3 5-OXIME

Common Name

English

MILBEMYCIN B, 5-DEMETHOXY-28-DEOXY-6,28-EPOXY-5-(HYDROXYIMINO)-25-METHYL-, (6R,25R)-

Systematic Name

English

(6R,25R)-5-DEMETHOXY-28-DEOXY-6,28-EPOXY-5-(HYDROXYIMINO)-25-METHYLMILBEMYCIN B

Common Name

English

Code System Code Type Description

FDA UNII

053YPP1I9C

Created by admin on Fri Dec 15 16:08:01 UTC 2023 , Edited by admin on Fri Dec 15 16:08:01 UTC 2023

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CAS

114177-14-9

Created by admin on Fri Dec 15 16:08:01 UTC 2023 , Edited by admin on Fri Dec 15 16:08:01 UTC 2023

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NCI_THESAURUS

C87654

Created by admin on Fri Dec 15 16:08:01 UTC 2023 , Edited by admin on Fri Dec 15 16:08:01 UTC 2023

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PUBCHEM

91617476

Created by admin on Fri Dec 15 16:08:01 UTC 2023 , Edited by admin on Fri Dec 15 16:08:01 UTC 2023

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