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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H44O
Molecular Weight 408.6591
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DEHYDROERGOSTEROL METHYL ETHER

SMILES

[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@H](CC[C@]4(C)C3=CC[C@]12C)OC)[C@H](C)\C=C\[C@H](C)C(C)C

InChI

InChIKey=GEHJKQAPQBWVMD-SAMWLVSJSA-N
InChI=1S/C29H44O/c1-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30-7)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,15,19-21,23,25-26H,12-14,16-18H2,1-7H3/b9-8+/t20-,21+,23-,25+,26-,28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H44O
Molecular Weight 408.6591
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:48:19 GMT 2023
Edited
by admin
on Sat Dec 16 09:48:19 GMT 2023
Record UNII
PX3VK31D6R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEHYDROERGOSTEROL METHYL ETHER
MI  
Common Name English
DEHYDROERGOSTEROL METHYL ETHER [MI]
Common Name English
ERGOSTA-5,7,9(11),22-TETRAENE, 3-METHOXY-, (3.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
73425426
Created by admin on Sat Dec 16 09:48:19 GMT 2023 , Edited by admin on Sat Dec 16 09:48:19 GMT 2023
PRIMARY
MERCK INDEX
m4147
Created by admin on Sat Dec 16 09:48:19 GMT 2023 , Edited by admin on Sat Dec 16 09:48:19 GMT 2023
PRIMARY Merck Index
CAS
5895-66-9
Created by admin on Sat Dec 16 09:48:19 GMT 2023 , Edited by admin on Sat Dec 16 09:48:19 GMT 2023
PRIMARY
FDA UNII
PX3VK31D6R
Created by admin on Sat Dec 16 09:48:19 GMT 2023 , Edited by admin on Sat Dec 16 09:48:19 GMT 2023
PRIMARY