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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24O3
Molecular Weight 288.3814
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXY-16-OXAESTRA-1,3,5(10)-TRIEN-17.ALPHA.-OL

SMILES

[H][C@@]12CO[C@@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC)C=C4

InChI

InChIKey=NWHAEIJWGYJAAW-SFFUCWETSA-N
InChI=1S/C18H24O3/c1-18-8-7-14-13-6-4-12(20-2)9-11(13)3-5-15(14)16(18)10-21-17(18)19/h4,6,9,14-17,19H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H24O3
Molecular Weight 288.3814
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 Fri Dec 15 15:05:34 GMT 2023
Edited
by admin
on Fri Dec 15 15:05:34 GMT 2023
Record UNII
YW7KEX596G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHOXY-16-OXAESTRA-1,3,5(10)-TRIEN-17.ALPHA.-OL
Systematic Name English
16-OXAESTRA-1,3,5(10)-TRIEN-17-OL, 3-METHOXY-, (17.ALPHA.)-
Systematic Name English
PHENANTHRO(1,2-C)FURAN-1-OL, 1,3,3A,3B,4,5,9B,10,11,11A-DECAHYDRO-7-METHOXY-11A-METHYL-, (1R,3AS,3BR,9BS,11AS)-
Systematic Name English
16-OXAESTRA-1,3,5(10)-TRIEN-17.ALPHA.-OL, 3-METHOXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
117587643
Created by admin on Fri Dec 15 15:05:34 GMT 2023 , Edited by admin on Fri Dec 15 15:05:34 GMT 2023
PRIMARY
CAS
5209-94-9
Created by admin on Fri Dec 15 15:05:34 GMT 2023 , Edited by admin on Fri Dec 15 15:05:34 GMT 2023
PRIMARY
FDA UNII
YW7KEX596G
Created by admin on Fri Dec 15 15:05:34 GMT 2023 , Edited by admin on Fri Dec 15 15:05:34 GMT 2023
PRIMARY