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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

C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@@]56O[C@@]7(O)[C@@H](CC[C@H]5[C@]4(O)[C@@H](O)[C@H](O)[C@@H]3[C@]2(C)O)[C@]6(C)CC[C@@H]7OC(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 Mon Mar 31 22:17:32 GMT 2025
Edited
by admin
on Mon Mar 31 22:17:32 GMT 2025
Record UNII
BAY5Z5MC9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZYGACINE
Common Name English
3-ACETYLZYGADENINE
Preferred 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
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 Mon Mar 31 22:17:32 GMT 2025 , Edited by admin on Mon Mar 31 22:17:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID00950455
Created by admin on Mon Mar 31 22:17:32 GMT 2025 , Edited by admin on Mon Mar 31 22:17:32 GMT 2025
PRIMARY
WIKIPEDIA
Zygacine
Created by admin on Mon Mar 31 22:17:32 GMT 2025 , Edited by admin on Mon Mar 31 22:17:32 GMT 2025
PRIMARY
FDA UNII
BAY5Z5MC9Z
Created by admin on Mon Mar 31 22:17:32 GMT 2025 , Edited by admin on Mon Mar 31 22:17:32 GMT 2025
PRIMARY