FR-008V

Details

Stereochemistry	UNKNOWN
Molecular Formula	C59H86N2O17.CH4
Molecular Weight	1111.3598
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C.C[C@@H](C[C@H](C)[C@H]1OC(=O)CC(O)CCCC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC2C[C@H](O)[C@H]([C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@@H]1C)O2)C(O)=O)[C@@H](O)CC(=O)C4=CC=C(N)C=C4

InChI

InChIKey=AHQVLCZJUYBHQK-FXHHNODTSA-N

InChI=1S/C59H86N2O17.CH4/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-46(77-59-56(72)54(61)55(71)38(4)75-59)33-51-53(58(73)74)50(69)32-47(76-51)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)31-52(70)78-57(35)37(3)26-36(2)48(67)34-49(68)39-22-24-40(60)25-23-39;/h5-16,18,21-25,35-38,42-48,50-51,53-57,59,63-67,69,71-72H,17,19-20,26-34,60-61H2,1-4H3,(H,73,74);1H4/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+;/t35-,36-,37-,38+,42?,43-,44-,45-,46-,47?,48-,50-,51-,53+,54-,55+,56-,57-,59-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	CH4
Molecular Weight	16.0425
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C59H86N2O17
Molecular Weight	1095.3173
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	17 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:00:48 GMT 2023` Edited by `admin` on `Sat Dec 16 11:00:48 GMT 2023`
Record UNII	HMJ2B54T12
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FR-008V

Common Name

English

CANDICIDIN D, 3-DEOXO-3-HYDROXY-, CYCLIC 15,19-HEMIACETAL

Common Name

English

Code System Code Type Description

PUBCHEM

76964520

Created by admin on Sat Dec 16 11:00:48 GMT 2023 , Edited by admin on Sat Dec 16 11:00:48 GMT 2023

PRIMARY

FDA UNII

HMJ2B54T12

Created by admin on Sat Dec 16 11:00:48 GMT 2023 , Edited by admin on Sat Dec 16 11:00:48 GMT 2023

PRIMARY

CAS

850873-25-5

Created by admin on Sat Dec 16 11:00:48 GMT 2023 , Edited by admin on Sat Dec 16 11:00:48 GMT 2023

PRIMARY