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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34O9
Molecular Weight 514.5642
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0
Stereo Comments AXIAL, S

SHOW SMILES / InChI
Structure of TIGLOYLGOMISIN P

SMILES

COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C4=C(OCO4)C=C3C[C@H](C)[C@@](C)(O)[C@@H]2OC(=O)C(\C)=C\C

InChI

InChIKey=BKGUPIVDQHHVMV-TWJXSMCESA-N
InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9+/t15-,26+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H34O9
Molecular Weight 514.5642
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:18:53 GMT 2023
Edited
by admin
on Sat Dec 16 11:18:53 GMT 2023
Record UNII
2VFX4QAR6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIGLOYLGOMISIN P
Common Name English
TIGLOGOMISIN P
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (5R,6R,7S,13AS)-5,6,7,8-TETRAHYDRO-6-HYDROXY-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYLBENZO(3,4)CYCLOOCTA(1,2-F)(1,3)BENZODIOXOL-5-YL ESTER, (2E)-
Systematic Name English
Code System Code Type Description
FDA UNII
2VFX4QAR6A
Created by admin on Sat Dec 16 11:18:53 GMT 2023 , Edited by admin on Sat Dec 16 11:18:53 GMT 2023
PRIMARY
CAS
69176-51-8
Created by admin on Sat Dec 16 11:18:53 GMT 2023 , Edited by admin on Sat Dec 16 11:18:53 GMT 2023
PRIMARY
PUBCHEM
5318785
Created by admin on Sat Dec 16 11:18:53 GMT 2023 , Edited by admin on Sat Dec 16 11:18:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT