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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H53NO8
Molecular Weight 591.7758
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EDPETILINE

SMILES

C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@H]5[C@@H](CC(=O)[C@H]6C[C@H](CC[C@]56C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]4CC[C@@H]3[C@]2(C)O

InChI

InChIKey=DHQFYEJMFMYGCV-RRIRULBESA-N
InChI=1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H53NO8
Molecular Weight 591.7758
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:01:29 GMT 2025
Edited
by admin
on Mon Mar 31 23:01:29 GMT 2025
Record UNII
F85B5IO5AT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VERTICINONE 3-.BETA.-D-GLUCOSIDE
Preferred Name English
EDPETILINE
Common Name English
CEVAN-6-ONE, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-20-HYDROXY-, (3.BETA.,5.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
32685-93-1
Created by admin on Mon Mar 31 23:01:29 GMT 2025 , Edited by admin on Mon Mar 31 23:01:29 GMT 2025
PRIMARY
PUBCHEM
90479257
Created by admin on Mon Mar 31 23:01:29 GMT 2025 , Edited by admin on Mon Mar 31 23:01:29 GMT 2025
PRIMARY
FDA UNII
F85B5IO5AT
Created by admin on Mon Mar 31 23:01:29 GMT 2025 , Edited by admin on Mon Mar 31 23:01:29 GMT 2025
PRIMARY