Otobanone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18O5
Molecular Weight	338.3539
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1[C@@H](C)C(=O)C2=C([C@H]1C3=CC=C4OCOC4=C3)C5=C(OCO5)C=C2

InChI

InChIKey=ZTOORMQTJNUZOQ-CZIZLABSSA-N

InChI=1S/C20H18O5/c1-10-11(2)19(21)13-4-6-15-20(25-9-23-15)18(13)17(10)12-3-5-14-16(7-12)24-8-22-14/h3-7,10-11,17H,8-9H2,1-2H3/t10-,11-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H18O5
Molecular Weight	338.3539
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:02:09 GMT 2025` Edited by `admin` on `Wed Apr 02 08:02:09 GMT 2025`
Record UNII	S99ZAY9QDT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(7R,8S,9R)-9-(1,3-Benzodioxol-5-yl)-8,9-dihydro-7,8-dimethylnaphtho[1,2-d]-1,3-dioxol-6(7H)-one

Preferred Name

English

Otobanone

Common Name

English

Naphtho[1,2-d]-1,3-dioxol-6(7H)-one, 9-(1,3-benzodioxol-5-yl)-8,9-dihydro-7,8-dimethyl-, [7R-(7?,8?,9?)]-

Systematic Name

English

Naphtho[1,2-d]-1,3-dioxol-6(7H)-one, 9-(1,3-benzodioxol-5-yl)-8,9-dihydro-7,8-dimethyl-, (7R,8S,9R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

S99ZAY9QDT

Created by admin on Wed Apr 02 08:02:09 GMT 2025 , Edited by admin on Wed Apr 02 08:02:09 GMT 2025

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PUBCHEM

14462033

Created by admin on Wed Apr 02 08:02:09 GMT 2025 , Edited by admin on Wed Apr 02 08:02:09 GMT 2025

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CAS

34426-79-4

Created by admin on Wed Apr 02 08:02:09 GMT 2025 , Edited by admin on Wed Apr 02 08:02:09 GMT 2025

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EPA CompTox

DTXSID50188004

Created by admin on Wed Apr 02 08:02:09 GMT 2025 , Edited by admin on Wed Apr 02 08:02:09 GMT 2025

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Related Record Type Details


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9-(1,3-Benzodioxol-5-yl)-8,9-dihydro-7,8-dimethylnaphtho[1,2-d]-1,3-dioxol-6(7H)-one, (7S,8R,9S)-

ENANTIOMER -> ENANTIOMER

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