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

Details

Stereochemistry ABSOLUTE
Molecular Formula C46H61NO11
Molecular Weight 803.9766
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LATIDECTIN A3

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@@H](OC(=O)C4(CCCC4)C5=CC=C(NC(=O)COC)C=C5)\C(C)=C\C[C@]6([H])C[C@@]([H])(C[C@]7(CC[C@H](C)[C@@H](C)O7)O6)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=KTVMGDINWWHAME-BQPSYACVSA-N
InChI=1S/C46H61NO11/c1-27-18-21-45(57-31(27)5)24-36-23-35(58-45)17-12-29(3)40(56-43(51)44(19-7-8-20-44)32-13-15-34(16-14-32)47-38(48)26-53-6)28(2)10-9-11-33-25-54-41-39(49)30(4)22-37(42(50)55-36)46(33,41)52/h9-16,22,27-28,31,35-37,39-41,49,52H,7-8,17-21,23-26H2,1-6H3,(H,47,48)/b10-9+,29-12+,33-11+/t27-,28-,31+,35+,36-,37-,39+,40+,41+,45-,46+/m0/s1

HIDE SMILES / InChI

Molecular Formula C46H61NO11
Molecular Weight 803.9766
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:58:12 GMT 2023
Edited
by admin
on Sat Dec 16 09:58:12 GMT 2023
Record UNII
J03F58RBIY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LATIDECTIN A3
Common Name English
LATIDECTIN COMPONENT A3
Common Name English
Code System Code Type Description
PUBCHEM
10284146
Created by admin on Sat Dec 16 09:58:12 GMT 2023 , Edited by admin on Sat Dec 16 09:58:12 GMT 2023
PRIMARY
FDA UNII
J03F58RBIY
Created by admin on Sat Dec 16 09:58:12 GMT 2023 , Edited by admin on Sat Dec 16 09:58:12 GMT 2023
PRIMARY
CAS
371918-51-3
Created by admin on Sat Dec 16 09:58:12 GMT 2023 , Edited by admin on Sat Dec 16 09:58:12 GMT 2023
PRIMARY