CANDICIDIN A3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C59H86N2O18
Molecular Weight	1111.3167
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=CC=C\C=C\C=C\C=C\[C@H](C)[C@H](OC(=O)C[C@H](O)CCCC(=O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2)[C@@H](C)C[C@H](C)[C@@H](O)CC(=O)C4=CC=C(N)C=C4

InChI

InChIKey=NIQQIRWZEBRLKO-BQZYQNDBSA-N

InChI=1S/C59H86N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-46(77-58-55(72)53(61)54(71)38(4)76-58)31-50-52(57(73)74)49(69)34-59(75,79-50)33-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)30-51(70)78-56(35)37(3)26-36(2)47(67)32-48(68)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,42-47,49-50,52-56,58,63-67,69,71-72,75H,17,19-20,26-34,60-61H2,1-4H3,(H,73,74)/b6-5-,9-7+,10-8-,13-11+,14-12+,18-15+,21-16+/t35-,36-,37-,38+,42+,43-,44-,45-,46-,47-,49-,50-,52+,53-,54+,55-,56-,58-,59+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C59H86N2O18
Molecular Weight	1111.3167
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:09:22 GMT 2023` Edited by `admin` on `Sat Dec 16 05:09:22 GMT 2023`
Record UNII	979KRF4O18
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CANDICIDIN A3

Common Name

English

ASCOSIN A3

Common Name

English

FR-008I

Common Name

English

LEVORIN A3

Common Name

English

FR 008I

Code

English

Code System Code Type Description

CAS

58591-23-4

Created by admin on Sat Dec 16 05:09:22 GMT 2023 , Edited by admin on Sat Dec 16 05:09:22 GMT 2023

PRIMARY

CAS

1155824-50-2

Created by admin on Sat Dec 16 05:09:22 GMT 2023 , Edited by admin on Sat Dec 16 05:09:22 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

979KRF4O18

Created by admin on Sat Dec 16 05:09:22 GMT 2023 , Edited by admin on Sat Dec 16 05:09:22 GMT 2023

PRIMARY

PUBCHEM

154733544

Created by admin on Sat Dec 16 05:09:22 GMT 2023 , Edited by admin on Sat Dec 16 05:09:22 GMT 2023

PRIMARY