U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18O4
Molecular Weight 262.301
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6'R)-6'-HYDROXY-2',3'-BIS(HYDROXYMETHYL)-4',6'-DIMETHYLSPIRO(CYCLOPROPANE-1,5'-(5H)INDEN)-7'(6'H)-ONE

SMILES

CC1=C2C(CO)=C(CO)C=C2C(=O)[C@](C)(O)C13CC3

InChI

InChIKey=DSGSWGIBMJBRIF-AWEZNQCLSA-N
InChI=1S/C15H18O4/c1-8-12-10(5-9(6-16)11(12)7-17)13(18)14(2,19)15(8)3-4-15/h5,16-17,19H,3-4,6-7H2,1-2H3/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H18O4
Molecular Weight 262.301
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:18:32 GMT 2023
Edited
by admin
on Sat Dec 16 16:18:32 GMT 2023
Record UNII
HN9HXV3D13
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6'R)-6'-HYDROXY-2',3'-BIS(HYDROXYMETHYL)-4',6'-DIMETHYLSPIRO(CYCLOPROPANE-1,5'-(5H)INDEN)-7'(6'H)-ONE
Systematic Name English
IROFULVEN METABOLITE M4
Common Name English
SPIRO(CYCLOPROPANE-1,5'-(5H)INDEN)-7'(6'H)-ONE, 6'-HYDROXY-2',3'-BIS(HYDROXYMETHYL)-4',6'-DIMETHYL-, (6'R)-
Systematic Name English
Code System Code Type Description
FDA UNII
HN9HXV3D13
Created by admin on Sat Dec 16 16:18:32 GMT 2023 , Edited by admin on Sat Dec 16 16:18:32 GMT 2023
PRIMARY
CAS
238432-47-8
Created by admin on Sat Dec 16 16:18:32 GMT 2023 , Edited by admin on Sat Dec 16 16:18:32 GMT 2023
PRIMARY
PUBCHEM
10869073
Created by admin on Sat Dec 16 16:18:32 GMT 2023 , Edited by admin on Sat Dec 16 16:18:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA; URINE