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

Details

Stereochemistry UNKNOWN
Molecular Formula C59H84N2O17
Molecular Weight 1093.3015
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FR-008IV

SMILES

[H][C@@]3(O[C@@H]1C[C@H](O)[C@@H]([C@@H](O)CC(=O)CCC[C@@H](O)CCCC(=O)CC(O)CC(=O)CC(=O)O[C@H]([C@@H](C)C[C@H](C)[C@@H](O)CC(=O)C2=CC=C(N)C=C2)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\1)C(O)=O)O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O

InChI

InChIKey=VQDWZFHLSMGXRI-WIQWGLCJSA-N
InChI=1S/C59H84N2O17/c1-36-19-15-13-11-9-7-5-6-8-10-12-14-16-24-47(77-59-56(73)54(61)55(72)39(4)76-59)34-51(70)53(58(74)75)50(69)32-44(64)23-18-21-42(62)20-17-22-43(63)30-45(65)31-46(66)33-52(71)78-57(36)38(3)29-37(2)48(67)35-49(68)40-25-27-41(60)28-26-40/h5-16,19,24-28,36-39,42,45,47-48,50-51,53-57,59,62,65,67,69-70,72-73H,17-18,20-23,29-35,60-61H2,1-4H3,(H,74,75)/b6-5+,9-7+,10-8+,13-11+,14-12+,19-15+,24-16+/t36-,37-,38-,39+,42-,45?,47-,48-,50-,51-,53+,54-,55+,56-,57-,59-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
FR-008IV
Common Name English
CANDICIDIN D, 9,13-DIDEOXY-5-HYDROXY-
Common Name English
FR 008IV
Code English
Code System Code Type Description
CAS
879558-52-8
Created by admin on Sat Dec 16 18:33:51 GMT 2023 , Edited by admin on Sat Dec 16 18:33:51 GMT 2023
PRIMARY
CAS
850873-26-6
Created by admin on Sat Dec 16 18:33:51 GMT 2023 , Edited by admin on Sat Dec 16 18:33:51 GMT 2023
ALTERNATIVE
FDA UNII
AP5PEF5W7U
Created by admin on Sat Dec 16 18:33:51 GMT 2023 , Edited by admin on Sat Dec 16 18:33:51 GMT 2023
PRIMARY
PUBCHEM
76965088
Created by admin on Sat Dec 16 18:33:51 GMT 2023 , Edited by admin on Sat Dec 16 18:33:51 GMT 2023
PRIMARY