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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H46O7
Molecular Weight 542.7034
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MILBEMYCIN .ALPHA.2

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])(C)O5)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1OC)[C@@]23O

InChI

InChIKey=JAPXVXGBNCCGCS-RFEBHRRASA-N
InChI=1S/C32H46O7/c1-19-8-7-9-24-18-36-29-28(35-6)22(4)15-27(32(24,29)34)30(33)37-26-16-25(11-10-20(2)14-19)39-31(17-26)13-12-21(3)23(5)38-31/h7-10,15,19,21,23,25-29,34H,11-14,16-18H2,1-6H3/b8-7+,20-10+,24-9+/t19-,21-,23+,25+,26-,27-,28+,29+,31-,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H46O7
Molecular Weight 542.7034
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 Sat Dec 16 10:40:41 UTC 2023
Edited
by admin
on Sat Dec 16 10:40:41 UTC 2023
Record UNII
2XL78SP6J5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MILBEMYCIN .ALPHA.2
Common Name English
MILBEMYCIN B2
Common Name English
5-O-METHYLMILBEMYCIN A3
Common Name English
MILBEMYCIN OXIME IMPURITY D [EP IMPURITY]
Common Name English
MILBEMYCIN B, 28-DEOXY-6,28-EPOXY-25-METHYL-, (6R,25R)-
Systematic Name English
Code System Code Type Description
CAS
51596-12-4
Created by admin on Sat Dec 16 10:40:42 UTC 2023 , Edited by admin on Sat Dec 16 10:40:42 UTC 2023
PRIMARY
FDA UNII
2XL78SP6J5
Created by admin on Sat Dec 16 10:40:42 UTC 2023 , Edited by admin on Sat Dec 16 10:40:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID601203483
Created by admin on Sat Dec 16 10:40:42 UTC 2023 , Edited by admin on Sat Dec 16 10:40:42 UTC 2023
PRIMARY
PUBCHEM
76871849
Created by admin on Sat Dec 16 10:40:42 UTC 2023 , Edited by admin on Sat Dec 16 10:40:42 UTC 2023
PRIMARY
Related Record Type Details
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EP