PHENELFAMYCIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C58H83NO18
Molecular Weight	1082.2755
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	7
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]([C@@H](C)[C@H]1C[C@H](O)[C@@H](O1)\C=C\C=C\C=C\C(O)=O)C(\C)=C\C=C\CNC(=O)[C@@H](CO[C@H]2C[C@H](OC)[C@H](O[C@@H]3C[C@@H](OC)[C@@H](O)[C@@H](C)O3)[C@H](C)O2)[C@@]4(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](O)[C@H]4OC(=O)CC5=CC=CC=C5

InChI

InChIKey=CFQHTKGGWFGEKG-ABSOLGDDSA-N

InChI=1S/C58H83NO18/c1-11-12-16-27-46-57(6,7)54(65)55(75-48(63)30-39-24-17-15-18-25-39)58(67,77-46)40(34-71-49-33-45(69-9)53(38(5)73-49)76-50-32-44(68-8)51(64)37(4)72-50)56(66)59-29-22-21-23-35(2)52(70-10)36(3)43-31-41(60)42(74-43)26-19-13-14-20-28-47(61)62/h11-28,36-38,40-46,49-55,60,64-65,67H,29-34H2,1-10H3,(H,59,66)(H,61,62)/b12-11-,14-13+,22-21+,26-19+,27-16+,28-20+,35-23+/t36-,37+,38-,40+,41-,42-,43+,44+,45-,46-,49+,50+,51-,52+,53+,54-,55+,58+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C58H83NO18
Molecular Weight	1082.2755
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	7
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:55:17 GMT 2025` Edited by `admin` on `Mon Mar 31 22:55:17 GMT 2025`
Record UNII	BP3VYJ8Z9V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENELFAMYCIN C

Preferred Name

English

Code System Code Type Description

PUBCHEM

119081357

Created by admin on Mon Mar 31 22:55:17 GMT 2025 , Edited by admin on Mon Mar 31 22:55:17 GMT 2025

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FDA UNII

BP3VYJ8Z9V

Created by admin on Mon Mar 31 22:55:17 GMT 2025 , Edited by admin on Mon Mar 31 22:55:17 GMT 2025

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CAS

118498-93-4

Created by admin on Mon Mar 31 22:55:17 GMT 2025 , Edited by admin on Mon Mar 31 22:55:17 GMT 2025

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