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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H48O7
Molecular Weight 556.73
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MILBEMYCIN D

SMILES

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

InChI

InChIKey=BWCRYQGQPDBOAU-WZBVPYLGSA-N
InChI=1S/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H48O7
Molecular Weight 556.73
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:50:29 UTC 2023
Edited
by admin
on Fri Dec 15 17:50:29 UTC 2023
Record UNII
04S0E2XJQI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MILBEMYCIN D
MI  
Common Name English
MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-25-(1-METHYLETHYL)-, (6R,25R)-
Common Name English
MILBEMYCIN D [MI]
Common Name English
MILBEMYCIN OXIME IMPURITY C [EP IMPURITY]
Common Name English
ANTIBIOTIC B 41D
Code English
Code System Code Type Description
CHEBI
141371
Created by admin on Fri Dec 15 17:50:29 UTC 2023 , Edited by admin on Fri Dec 15 17:50:29 UTC 2023
PRIMARY
PUBCHEM
6440579
Created by admin on Fri Dec 15 17:50:29 UTC 2023 , Edited by admin on Fri Dec 15 17:50:29 UTC 2023
PRIMARY
MERCK INDEX
m7541
Created by admin on Fri Dec 15 17:50:29 UTC 2023 , Edited by admin on Fri Dec 15 17:50:29 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID801032981
Created by admin on Fri Dec 15 17:50:29 UTC 2023 , Edited by admin on Fri Dec 15 17:50:29 UTC 2023
PRIMARY
CAS
77855-81-3
Created by admin on Fri Dec 15 17:50:29 UTC 2023 , Edited by admin on Fri Dec 15 17:50:29 UTC 2023
PRIMARY
FDA UNII
04S0E2XJQI
Created by admin on Fri Dec 15 17:50:29 UTC 2023 , Edited by admin on Fri Dec 15 17:50:29 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP