U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C42H67NO10
Molecular Weight 745.9821
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPINOSAD FACTOR D

SMILES

[H][C@@]12C[C@H](C[C@@]1([H])[C@]3([H])C=C4C(=O)[C@H](C)[C@H](CCC[C@H](CC)OC(=O)C[C@@]4([H])[C@]3([H])C=C2C)O[C@@]5([H])CC[C@@H]([C@@H](C)O5)N(C)C)O[C@]6([H])O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]6OC

InChI

InChIKey=RDECBWLKMPEKPM-PSCJHHPTSA-N
InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1

HIDE SMILES / InChI

Molecular Formula C42H67NO10
Molecular Weight 745.9821
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:49:38 UTC 2023
Edited
by admin
on Fri Dec 15 15:49:38 UTC 2023
Record UNII
78G4631RTT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPINOSAD FACTOR D
Common Name English
SPINOSYN D [MI]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 110004
Created by admin on Fri Dec 15 15:49:38 UTC 2023 , Edited by admin on Fri Dec 15 15:49:38 UTC 2023
NCI_THESAURUS C737
Created by admin on Fri Dec 15 15:49:38 UTC 2023 , Edited by admin on Fri Dec 15 15:49:38 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C84179
Created by admin on Fri Dec 15 15:49:38 UTC 2023 , Edited by admin on Fri Dec 15 15:49:38 UTC 2023
PRIMARY
CHEBI
9232
Created by admin on Fri Dec 15 15:49:38 UTC 2023 , Edited by admin on Fri Dec 15 15:49:38 UTC 2023
PRIMARY
PUBCHEM
183094
Created by admin on Fri Dec 15 15:49:38 UTC 2023 , Edited by admin on Fri Dec 15 15:49:38 UTC 2023
PRIMARY
MERCK INDEX
m10147
Created by admin on Fri Dec 15 15:49:38 UTC 2023 , Edited by admin on Fri Dec 15 15:49:38 UTC 2023
PRIMARY Merck Index
FDA UNII
78G4631RTT
Created by admin on Fri Dec 15 15:49:38 UTC 2023 , Edited by admin on Fri Dec 15 15:49:38 UTC 2023
PRIMARY
CAS
131929-63-0
Created by admin on Fri Dec 15 15:49:38 UTC 2023 , Edited by admin on Fri Dec 15 15:49:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID3037599
Created by admin on Fri Dec 15 15:49:38 UTC 2023 , Edited by admin on Fri Dec 15 15:49:38 UTC 2023
PRIMARY