FR-008IV

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 Search

SMILES

C[C@@H](C[C@H](C)[C@H]1OC(=O)CC(=O)CC(O)CC(=O)CCC[C@H](O)CCCC(=O)C[C@H](O)[C@H]([C@@H](O)C[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@@H]1C)C(O)=O)[C@@H](O)CC(=O)C3=CC=C(N)C=C3

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

Molecular Formula	C59H84N2O17
Molecular Weight	1093.3015
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	15 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:35:07 GMT 2025` Edited by `admin` on `Wed Apr 02 11:35:07 GMT 2025`
Record UNII	AP5PEF5W7U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR-008IV

Common Name

English

FR 008IV

Preferred Name

English

CANDICIDIN D, 9,13-DIDEOXY-5-HYDROXY-

Common Name

English

Code System Code Type Description

CAS

879558-52-8

Created by admin on Wed Apr 02 11:35:07 GMT 2025 , Edited by admin on Wed Apr 02 11:35:07 GMT 2025

PRIMARY

CAS

850873-26-6

Created by admin on Wed Apr 02 11:35:07 GMT 2025 , Edited by admin on Wed Apr 02 11:35:07 GMT 2025

ALTERNATIVE

FDA UNII

AP5PEF5W7U

Created by admin on Wed Apr 02 11:35:07 GMT 2025 , Edited by admin on Wed Apr 02 11:35:07 GMT 2025

PRIMARY

PUBCHEM

76965088

Created by admin on Wed Apr 02 11:35:07 GMT 2025 , Edited by admin on Wed Apr 02 11:35:07 GMT 2025

PRIMARY