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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H41NO7S
Molecular Weight 523.682
Optical Activity ( - )
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of EPOTHILONE F

SMILES

[H][C@]12C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O2)C(\C)=C\C3=CSC(CO)=N3

InChI

InChIKey=UKIMCRYGLFQEOE-RGJAOAFDSA-N
InChI=1S/C27H41NO7S/c1-15-8-7-9-27(6)21(35-27)11-19(16(2)10-18-14-36-22(13-29)28-18)34-23(31)12-20(30)26(4,5)25(33)17(3)24(15)32/h10,14-15,17,19-21,24,29-30,32H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,19-,20-,21-,24-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H41NO7S
Molecular Weight 523.682
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:27:38 GMT 2023
Edited
by admin
on Sat Dec 16 18:27:38 GMT 2023
Record UNII
GFX93BX7K3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPOTHILONE F
Common Name English
4,17-DIOXABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE, 7,11-DIHYDROXY-3-((1E)-2-(2-(HYDROXYMETHYL)-4-THIAZOLYL)-1-METHYLETHENYL)-8,8,10,12,16-PENTAMETHYL-, (1S,3S,7S,10R,11S,12S,16R)-
Systematic Name English
(-)-EPOTHILONE F
Common Name English
(1S,3S,7S,10R,11S,12S,16R)-7,11-DIHYDROXY-3-((1E)-2-(2-(HYDROXYMETHYL)-4-THIAZOLYL)-1-METHYLETHENYL)-8,8,10,12,16-PENTAMETHYL-4,17-DIOXABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE
Systematic Name English
Code System Code Type Description
CAS
208518-52-9
Created by admin on Sat Dec 16 18:27:38 GMT 2023 , Edited by admin on Sat Dec 16 18:27:38 GMT 2023
PRIMARY
FDA UNII
GFX93BX7K3
Created by admin on Sat Dec 16 18:27:38 GMT 2023 , Edited by admin on Sat Dec 16 18:27:38 GMT 2023
PRIMARY
PUBCHEM
9914741
Created by admin on Sat Dec 16 18:27:38 GMT 2023 , Edited by admin on Sat Dec 16 18:27:38 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY