U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H45NO8
Molecular Weight 535.6695
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZYGACINE

SMILES

[H][C@@]12C[C@]34O[C@]5(O)[C@H](CC[C@@]3(C)[C@]5([H])CC[C@@]4([H])[C@]1(O)[C@@H](O)[C@H](O)[C@@]6([H])[C@@]2([H])CN7C[C@@H](C)CC[C@@]7([H])[C@@]6(C)O)OC(C)=O

InChI

InChIKey=IGDRXLIXNAWBBF-MIYCFHDBSA-N
InChI=1S/C29H45NO8/c1-14-5-8-20-26(4,34)22-16(13-30(20)12-14)17-11-27-19(28(17,35)24(33)23(22)32)7-6-18-25(27,3)10-9-21(37-15(2)31)29(18,36)38-27/h14,16-24,32-36H,5-13H2,1-4H3/t14-,16-,17-,18-,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-,29?/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H45NO8
Molecular Weight 535.6695
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 Sat Dec 16 08:45:17 GMT 2023
Edited
by admin
on Sat Dec 16 08:45:17 GMT 2023
Record UNII
BAY5Z5MC9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZYGACINE
Common Name English
CEVANE-3.BETA.,4.BETA.,14,15.ALPHA.,16.BETA.,20-HEXOL, 4,9-EPOXY-, 3-ACETATE
Systematic Name English
ZYGADENINE 3-ACETATE
Common Name English
Zygacin
Common Name English
3-ACETYLZYGADENINE
Common Name English
CEVANE-3,4,14,15,16,20-HEXOL, 4,9-EPOXY-, 3-ACETATE, (3.BETA.,4.ALPHA.,15.ALPHA.,16.BETA.)-
Systematic Name English
Code System Code Type Description
CAS
2777-79-9
Created by admin on Sat Dec 16 08:45:17 GMT 2023 , Edited by admin on Sat Dec 16 08:45:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID00950455
Created by admin on Sat Dec 16 08:45:17 GMT 2023 , Edited by admin on Sat Dec 16 08:45:17 GMT 2023
PRIMARY
WIKIPEDIA
Zygacine
Created by admin on Sat Dec 16 08:45:17 GMT 2023 , Edited by admin on Sat Dec 16 08:45:17 GMT 2023
PRIMARY
FDA UNII
BAY5Z5MC9Z
Created by admin on Sat Dec 16 08:45:17 GMT 2023 , Edited by admin on Sat Dec 16 08:45:17 GMT 2023
PRIMARY