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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O3
Molecular Weight 316.4345
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NDC-1022

SMILES

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

InChI

InChIKey=IWGSIBVXIPLFAD-BGSZODNUSA-N
InChI=1S/C20H28O3/c1-20-8-7-15-14-4-3-13(21)10-16(14)12(11-23-2)9-17(15)18(20)5-6-19(20)22/h3-4,10,12,15,17-19,21-22H,5-9,11H2,1-2H3/t12-,15+,17+,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28O3
Molecular Weight 316.4345
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:31:22 GMT 2023
Edited
by admin
on Sat Dec 16 10:31:22 GMT 2023
Record UNII
M9T8ZY9FS9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NDC-1022
Code English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 6-(METHOXYMETHYL)-, (6.BETA.,17.BETA.)-
Systematic Name English
(6.BETA.,17.BETA.)-6-(METHOXYMETHYL)ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
Systematic Name English
6B-METHOXYMETHYL-ESTRA-1,3,5(10)-TRIENE-3,17B-DIOL
Systematic Name English
NDC1022
Code English
Code System Code Type Description
PUBCHEM
24808504
Created by admin on Sat Dec 16 10:31:22 GMT 2023 , Edited by admin on Sat Dec 16 10:31:22 GMT 2023
PRIMARY
CAS
1025495-78-6
Created by admin on Sat Dec 16 10:31:22 GMT 2023 , Edited by admin on Sat Dec 16 10:31:22 GMT 2023
PRIMARY
FDA UNII
M9T8ZY9FS9
Created by admin on Sat Dec 16 10:31:22 GMT 2023 , Edited by admin on Sat Dec 16 10:31:22 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY