SAMADERIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H18O6
Molecular Weight	330.3319
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H](O)[C@@H]3OC(=O)[C@H]4[C@]3(C)OC[C@@]14C(=O)C=C5C(C)=CC(=O)[C@]25C

InChI

InChIKey=BHRGGWSNTHQGED-QNHMRRABSA-N

InChI=1S/C18H18O6/c1-7-4-9(19)16(2)8(7)5-10(20)18-6-23-17(3)13(18)15(22)24-14(17)11(21)12(16)18/h4-5,11-14,21H,6H2,1-3H3/t11-,12-,13+,14+,16-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H18O6
Molecular Weight	330.3319
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:07:48 GMT 2023` Edited by `admin` on `Sat Dec 16 15:07:48 GMT 2023`
Record UNII	FY0R1Q3SD3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAMADERIN A

Common Name

English

5A,2,5-(METHANOXYMETHENO)-5AH-INDENO(4,5-D)OXEPIN-4,6,10(5H)-TRIONE, 1,2,10A,10B-TETRAHYDRO-1-HYDROXY-8,10A,13-TRIMETHYL-, (1R,2S,5R,5AR,10AR,10BR,13S)-

Systematic Name

English

SAMADERINE A

Common Name

English

SAMADERIN A [MI]

Common Name

English

(-)-SAMADERIN A

Common Name

English

(1R-(1.ALPHA.,2.ALPHA.,5.ALPHA.,5A.ALPHA.,10A.ALPHA.,10B.BETA.,13S*))-1,2,10A,10B-TETRAHYDRO-1-HYDROXY-8,10A,13-TRIMETHYL-5A,2,5-(METHANOXYMETHENO)-5AH-INDENO(4,5-D)OXEPIN-4,6,10(5H)-TRIONE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90331633