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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H51NO10
Molecular Weight 657.7908
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Veratroylzygadenine

SMILES

COC1=CC=C(C=C1OC)C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@@]6(O)[C@@H](C[C@]35O[C@]24O)[C@@H]7CN8C[C@@H](C)CC[C@H]8[C@@](C)(O)[C@H]7[C@@H](O)[C@@H]6O

InChI

InChIKey=LQZYJVWXEFXUJG-OPPBMFSOSA-N
InChI=1S/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20-,21-,24-,25+,26-,27-,28+,29+,30-,32-,33+,34+,35-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H51NO10
Molecular Weight 657.7908
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:13:37 GMT 2025
Edited
by admin
on Mon Mar 31 22:13:37 GMT 2025
Record UNII
T4K3D8D6AY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Veratroylzygadenine
Common Name English
3-Veratroylzygadenine
Preferred Name English
Zygadenine, 3-veratrate
Common Name English
Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-(3,4-dimethoxybenzoate), (3?,4?,15?,16?)-
Systematic Name English
Cevane-3?,4?,14,15?,16?,20-hexol, 4,9-epoxy-, 3-veratrate
Common Name English
Code System Code Type Description
PUBCHEM
162954883
Created by admin on Mon Mar 31 22:13:37 GMT 2025 , Edited by admin on Mon Mar 31 22:13:37 GMT 2025
PRIMARY
FDA UNII
T4K3D8D6AY
Created by admin on Mon Mar 31 22:13:37 GMT 2025 , Edited by admin on Mon Mar 31 22:13:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID10953371
Created by admin on Mon Mar 31 22:13:37 GMT 2025 , Edited by admin on Mon Mar 31 22:13:37 GMT 2025
PRIMARY
CAS
31329-58-5
Created by admin on Mon Mar 31 22:13:37 GMT 2025 , Edited by admin on Mon Mar 31 22:13:37 GMT 2025
PRIMARY