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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36O8
Molecular Weight 500.5806
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0
Stereo Comments AXIAL, R

SHOW SMILES / InChI
Structure of ANGELOYLGOMISIN H

SMILES

COC1=CC2=C(C(OC(=O)C(\C)=C/C)=C1OC)C3=C(OC)C(OC)=C(OC)C=C3C[C@](C)(O)[C@@H](C)C2

InChI

InChIKey=ZSAUXCVJDYCLRS-XSIRQHFTSA-N
InChI=1S/C28H36O8/c1-10-15(2)27(29)36-26-21-17(12-19(31-5)24(26)34-8)11-16(3)28(4,30)14-18-13-20(32-6)23(33-7)25(35-9)22(18)21/h10,12-13,16,30H,11,14H2,1-9H3/b15-10-/t16-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H36O8
Molecular Weight 500.5806
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:25:02 UTC 2023
Edited
by admin
on Sat Dec 16 10:25:02 UTC 2023
Record UNII
Y16R9MI4T6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANGELOYLGOMISIN H
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (6S,7S,12AR)-5,6,7,8-TETRAHYDRO-7-HYDROXY-2,3,10,11,12-PENTAMETHOXY-6,7-DIMETHYLDIBENZO(A,C)CYCLOOCTEN-1-YL ESTER, (2Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
Y16R9MI4T6
Created by admin on Sat Dec 16 10:25:02 UTC 2023 , Edited by admin on Sat Dec 16 10:25:02 UTC 2023
PRIMARY
CAS
66056-22-2
Created by admin on Sat Dec 16 10:25:02 UTC 2023 , Edited by admin on Sat Dec 16 10:25:02 UTC 2023
PRIMARY
PUBCHEM
26204131
Created by admin on Sat Dec 16 10:25:02 UTC 2023 , Edited by admin on Sat Dec 16 10:25:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID701316459
Created by admin on Sat Dec 16 10:25:02 UTC 2023 , Edited by admin on Sat Dec 16 10:25:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT