7-ACETYL-7,8-DIHYDRO-8-(3,4,5-TRIMETHOXYPHENYL)-6H-1,3-DIOXOLO(4,5-G)(1)BENZOPYRAN-6-ONE, TRANS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H20O8
Molecular Weight	400.3787
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-ACETYL-7,8-DIHYDRO-8-(3,4,5-TRIMETHOXYPHENYL)-6H-1,3-DIOXOLO(4,5-G)(1)BENZOPYRAN-6-ONE, TRANS-

SMILES

COC1=CC(=CC(OC)=C1OC)[C@@H]2[C@@H](C(C)=O)C(=O)OC3=CC4=C(OCO4)C=C23

InChI

InChIKey=CEVCUUKJLCNBFF-MOPGFXCFSA-N

InChI=1S/C21H20O8/c1-10(22)18-19(11-5-16(24-2)20(26-4)17(6-11)25-3)12-7-14-15(28-9-27-14)8-13(12)29-21(18)23/h5-8,18-19H,9H2,1-4H3/t18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H20O8
Molecular Weight	400.3787
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	SC6CA8T0XU
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

7-ACETYL-7,8-DIHYDRO-8-(3,4,5-TRIMETHOXYPHENYL)-6H-1,3-DIOXOLO(4,5-G)(1)BENZOPYRAN-6-ONE, TRANS-

Systematic Name

English

NSC-375500

Preferred Name

English

6H-1,3-DIOXOLO(4,5-G)(1)BENZOPYRAN-6-ONE, 7-ACETYL-7,8-DIHYDRO-8-(3,4,5-TRIMETHOXYPHENYL)-, TRANS-

Systematic Name

English

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Code System

Code

Type

Description

NSC

375500

PRIMARY

PUBCHEM

146665

PRIMARY

FDA UNII

SC6CA8T0XU

PRIMARY

CAS

117211-86-6

PRIMARY

EPA CompTox

DTXSID20151725

PRIMARY

Showing 1 to 5 of 5 entries

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