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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18O3
Molecular Weight 246.3016
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC1=C(CO)C=C2C1=C(C)C3(CC3)[C@@](C)(O)C2=O

InChI

InChIKey=TZJYMYOTRGAPAC-AWEZNQCLSA-N
InChI=1S/C15H18O3/c1-8-10(7-16)6-11-12(8)9(2)15(4-5-15)14(3,18)13(11)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
IROFULVEN METABOLITE M5
Preferred Name English
(6'R)-6'-HYDROXY-2'-(HYDROXYMETHYL)-3',4',6'-TRIMETHYLSPIRO(CYCLOPROPANE-1,5'-(5H)INDEN)-7'(6'H)-ONE
Systematic Name English
SPIRO(CYCLOPROPANE-1,5'-(5H)INDEN)-7'(6'H)-ONE, 6'-HYDROXY-2'-(HYDROXYMETHYL)-3',4',6'-TRIMETHYL-, (6'R)-
Systematic Name English
Code System Code Type Description
FDA UNII
EZS9L35IMB
Created by admin on Wed Apr 02 08:31:04 GMT 2025 , Edited by admin on Wed Apr 02 08:31:04 GMT 2025
PRIMARY
PUBCHEM
118440085
Created by admin on Wed Apr 02 08:31:04 GMT 2025 , Edited by admin on Wed Apr 02 08:31:04 GMT 2025
PRIMARY
CAS
247256-78-6
Created by admin on Wed Apr 02 08:31:04 GMT 2025 , Edited by admin on Wed Apr 02 08:31:04 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of IROFULVEN
NIH
NCATS
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