CARPANONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H18O6
Molecular Weight	354.3533
Optical Activity	( + / - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1C=C2[C@H]3[C@@H]([C@H]1C)C4=CC5=C(OCO5)C=C4O[C@]36OCOC6=CC2=O

InChI

InChIKey=WTXORUUTAZJKSN-ZCXQVHELSA-N

InChI=1S/C20H18O6/c1-9-3-11-13(21)5-17-20(25-8-24-17)19(11)18(10(9)2)12-4-15-16(23-7-22-15)6-14(12)26-20/h3-6,9-10,18-19H,7-8H2,1-2H3/t9-,10+,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H18O6
Molecular Weight	354.3533
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:14:44 GMT 2025` Edited by `admin` on `Wed Apr 02 09:14:44 GMT 2025`
Record UNII	G32K37Q6T4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CARPANONE

Common Name

English

NSC-156298

Preferred Name

English

(±)-CARPANONE

Common Name

English

5H-BENZO(KL)BIS(1,3)DIOXOLO(4,5-B:4,5-G)XANTHEN-5-ONE, 7,8,8A.BETA.,14B.BETA.-TETRAHYDRO-7.ALPHA.,8.BETA.-DIMETHYL-

Common Name

English

5H-BENZO(KL)BIS(1,3)DIOXOLO(4,5-B:4,5-G)XANTHEN-5-ONE, 7,8,8A,14B-TETRAHYDRO-7,8-DIMETHYL-, (7R,8R,8AS,14AR,14BS)-REL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10303059