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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-3',4'-BIS(HYDROXYMETHYL)-2',6'-DIMETHYLSPIRO(CYCLOPROPANE-1,5'-(5H)INDEN)-7'(6'H)-ONE

SMILES

CC1=C(CO)C2=C(CO)C3(CC3)[C@@](C)(O)C(=O)C2=C1

InChI

InChIKey=YZHZATJWFNTXDD-AWEZNQCLSA-N
InChI=1S/C15H18O4/c1-8-5-9-12(10(8)6-16)11(7-17)15(3-4-15)14(2,19)13(9)18/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 16:14:28 GMT 2023
Edited
by admin
on Sat Dec 16 16:14:28 GMT 2023
Record UNII
65P8KIP7V1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6'R)-6'-HYDROXY-3',4'-BIS(HYDROXYMETHYL)-2',6'-DIMETHYLSPIRO(CYCLOPROPANE-1,5'-(5H)INDEN)-7'(6'H)-ONE
Systematic Name English
SPIRO(CYCLOPROPANE-1,5'-(5H)INDEN)-7'(6'H)-ONE, 6'-HYDROXY-3',4'-BIS(HYDROXYMETHYL)-2',6'-DIMETHYL-, (6'R)-
Systematic Name English
IROFULVEN METABOLITE M3
Common Name English
Code System Code Type Description
CAS
247256-79-7
Created by admin on Sat Dec 16 16:14:28 GMT 2023 , Edited by admin on Sat Dec 16 16:14:28 GMT 2023
PRIMARY
FDA UNII
65P8KIP7V1
Created by admin on Sat Dec 16 16:14:28 GMT 2023 , Edited by admin on Sat Dec 16 16:14:28 GMT 2023
PRIMARY
PUBCHEM
154731645
Created by admin on Sat Dec 16 16:14:28 GMT 2023 , Edited by admin on Sat Dec 16 16:14:28 GMT 2023
PRIMARY
Related Record Type Details
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