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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H32O5
Molecular Weight 352.4651
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GRAYANOTOXIN II

SMILES

[H][C@@]1(O)[C@H]2CC[C@@]3([H])C(=C)[C@]4([H])C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]13C[C@@]2(C)O

InChI

InChIKey=KEOQZUCOGXIEQR-LXFHFZRZSA-N
InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15+,16+,18+,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H32O5
Molecular Weight 352.4651
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:08:44 GMT 2023
Edited
by admin
on Sat Dec 16 10:08:44 GMT 2023
Record UNII
8W0JHP62TU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GRAYANOTOXIN II
MI  
Common Name English
GRAYANOTOX-10(20)-ENE-3,5,6,14,16-PENTOL, (3.BETA.,6.BETA.,14R)-
Common Name English
GRAYANOTOXIN II [MI]
Common Name English
.DELTA.10(18)-ANDROMEDENOL
Common Name English
Code System Code Type Description
FDA UNII
8W0JHP62TU
Created by admin on Sat Dec 16 10:08:44 GMT 2023 , Edited by admin on Sat Dec 16 10:08:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID20897035
Created by admin on Sat Dec 16 10:08:44 GMT 2023 , Edited by admin on Sat Dec 16 10:08:44 GMT 2023
PRIMARY
MERCK INDEX
m5848
Created by admin on Sat Dec 16 10:08:44 GMT 2023 , Edited by admin on Sat Dec 16 10:08:44 GMT 2023
PRIMARY Merck Index
CAS
4678-44-8
Created by admin on Sat Dec 16 10:08:44 GMT 2023 , Edited by admin on Sat Dec 16 10:08:44 GMT 2023
PRIMARY
PUBCHEM
14060930
Created by admin on Sat Dec 16 10:08:44 GMT 2023 , Edited by admin on Sat Dec 16 10:08:44 GMT 2023
PRIMARY