GROSSAMIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C36H36N2O8
Molecular Weight	624.6796
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2O[C@@H]([C@@H](C(=O)NCCC3=CC=C(O)C=C3)C2=CC(\C=C\C(=O)NCCC4=CC=C(O)C=C4)=C1)C5=CC(OC)=C(O)C=C5

InChI

InChIKey=DROXVBRNXCRUHP-XALRPAEYSA-N

InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+/t33-,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H36N2O8
Molecular Weight	624.6796
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 11:22:19 GMT 2023` Edited by `admin` on `Sat Dec 16 11:22:19 GMT 2023`
Record UNII	63RFK5Z1GK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GROSSAMIDE

Common Name

English

NSC-359837

Code

English

3-BENZOFURANCARBOXAMIDE, 2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-N-(2-(4-HYDROXYPHENYL)ETHYL)-5-((1E)-3-((2-(4-HYDROXYPHENYL)ETHYL)AMINO)-3-OXO-1-PROPENYL)-7-METHOXY-, (2R,3R)-REL-

Systematic Name

English

3-BENZOFURANCARBOXAMIDE, 2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-N-(2-(4-HYDROXYPHENYL)ETHYL)-5-((1E)-3-((2-(4-HYDROXYPHENYL)ETHYL)AMINO)-3-OXO-1-PROPEN-1-YL)-7-METHOXY-, (2R,3R)-REL-

Systematic Name

English

(±)-GROSSAMIDE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID401318494