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Details

Stereochemistry RACEMIC
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity ( + / - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,7A-DIETHYL-1-ETHYNYLOCTAHYDRO-5-(4-HYDROXYPHENYL)-1H-INDEN-1-OL, (1R,3AS,4R,5S,7AS)-REL-

SMILES

CC[C@@H]1[C@H]2CC[C@](O)(C#C)[C@]2(CC)CC[C@H]1C3=CC=C(O)C=C3

InChI

InChIKey=DXXJRHSNMNCDCO-WRTQPQOASA-N
InChI=1S/C21H28O2/c1-4-17-18(15-7-9-16(22)10-8-15)11-13-20(5-2)19(17)12-14-21(20,23)6-3/h3,7-10,17-19,22-23H,4-5,11-14H2,1-2H3/t17-,18-,19+,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O2
Molecular Weight 312.4458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:58:22 GMT 2025
Edited
by admin
on Mon Mar 31 22:58:22 GMT 2025
Record UNII
U8J4FMF27E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-INDEN-1-OL, 4,7A-DIETHYL-1-ETHYNYLOCTAHYDRO-5-(4-HYDROXYPHENYL)-, (1.ALPHA.,3A.BETA.,4.BETA.,5.ALPHA.,7A.ALPHA.)-(±)-
Preferred Name English
4,7A-DIETHYL-1-ETHYNYLOCTAHYDRO-5-(4-HYDROXYPHENYL)-1H-INDEN-1-OL, (1R,3AS,4R,5S,7AS)-REL-
Systematic Name English
1H-INDEN-1-OL, OCTAHYDRO-4,7A-DIETHYL-1-ETHYNYL-5-(4-HYDROXYPHENYL)-
Systematic Name English
REL-(1R,3AS,4R,5S,7AS)-4,7A-DIETHYL-1-ETHYNYLOCTAHYDRO-5-(4-HYDROXYPHENYL)-1H-INDEN-1-OL
Systematic Name English
1H-INDEN-1-OL, 4,7A-DIETHYL-1-ETHYNYLOCTAHYDRO-5-(4-HYDROXYPHENYL)-, (1R,3AS,4R,5S,7AS)-REL-
Systematic Name English
Code System Code Type Description
PUBCHEM
71301030
Created by admin on Mon Mar 31 22:58:22 GMT 2025 , Edited by admin on Mon Mar 31 22:58:22 GMT 2025
PRIMARY
CAS
95733-57-6
Created by admin on Mon Mar 31 22:58:22 GMT 2025 , Edited by admin on Mon Mar 31 22:58:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID70241948
Created by admin on Mon Mar 31 22:58:22 GMT 2025 , Edited by admin on Mon Mar 31 22:58:22 GMT 2025
PRIMARY
FDA UNII
U8J4FMF27E
Created by admin on Mon Mar 31 22:58:22 GMT 2025 , Edited by admin on Mon Mar 31 22:58:22 GMT 2025
PRIMARY