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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38O9
Molecular Weight 530.6066
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 ANGELOYLGOMISIN Q

SMILES

COC1=C(OC)C(OC)=C2C(C[C@H](C)[C@](C)(O)[C@@H](OC(=O)C(\C)=C/C)C3=CC(OC)=C(OC)C(OC)=C23)=C1

InChI

InChIKey=RHABJANPSGWEFC-MRFZJNLZSA-N
InChI=1S/C29H38O9/c1-11-15(2)28(30)38-27-18-14-20(33-6)24(35-8)26(37-10)22(18)21-17(12-16(3)29(27,4)31)13-19(32-5)23(34-7)25(21)36-9/h11,13-14,16,27,31H,12H2,1-10H3/b15-11-/t16-,27-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H38O9
Molecular Weight 530.6066
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 11:16:28 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:28 GMT 2023
Record UNII
HJE27L4CC0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANGELOYLGOMISIN Q
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (5S,6S,7S,12AS)-5,6,7,8-TETRAHYDRO-6-HYDROXY-1,2,3,10,11,12-HEXAMETHOXY-6,7-DIMETHYLDIBENZO(A,C)CYCLOOCTEN-5-YL ESTER, (2Z)-
Systematic Name English
Code System Code Type Description
CAS
72561-28-5
Created by admin on Sat Dec 16 11:16:28 GMT 2023 , Edited by admin on Sat Dec 16 11:16:28 GMT 2023
PRIMARY
PUBCHEM
14992071
Created by admin on Sat Dec 16 11:16:28 GMT 2023 , Edited by admin on Sat Dec 16 11:16:28 GMT 2023
PRIMARY
FDA UNII
HJE27L4CC0
Created by admin on Sat Dec 16 11:16:28 GMT 2023 , Edited by admin on Sat Dec 16 11:16:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT