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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24O2
Molecular Weight 284.3927
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYLESTRA-1,3,5(10),6-TETRAENE-3,17.BETA.-DIOL

SMILES

CC1=CC(O)=CC2=C1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C=C2

InChI

InChIKey=WCHXTGUTQVBYIP-QSUVVDIXSA-N
InChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-17,20-21H,5-8H2,1-2H3/t14-,15+,16+,17+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H24O2
Molecular Weight 284.3927
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 21:25:29 GMT 2025
Edited
by admin
on Mon Mar 31 21:25:29 GMT 2025
Record UNII
4VUO1Y78RM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYLESTRA-1,3,5(10),6-TETRAENE-3,17.BETA.-DIOL
Systematic Name English
NSC-9783
Preferred Name English
ESTRA-1,3,5(10),6-TETRAENE-3,17.BETA.-DIOL, 1-METHYL-
Systematic Name English
1-METHYL-ESTRA-1,3,5(10),6-TETRAENE-3,17.BETA.-DIOL
Systematic Name English
Code System Code Type Description
FDA UNII
4VUO1Y78RM
Created by admin on Mon Mar 31 21:25:29 GMT 2025 , Edited by admin on Mon Mar 31 21:25:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID80146935
Created by admin on Mon Mar 31 21:25:29 GMT 2025 , Edited by admin on Mon Mar 31 21:25:29 GMT 2025
PRIMARY
CAS
10506-68-0
Created by admin on Mon Mar 31 21:25:29 GMT 2025 , Edited by admin on Mon Mar 31 21:25:29 GMT 2025
PRIMARY
NSC
9783
Created by admin on Mon Mar 31 21:25:29 GMT 2025 , Edited by admin on Mon Mar 31 21:25:29 GMT 2025
PRIMARY
PUBCHEM
222846
Created by admin on Mon Mar 31 21:25:29 GMT 2025 , Edited by admin on Mon Mar 31 21:25:29 GMT 2025
PRIMARY