MARRUBIIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O4
Molecular Weight	332.4339
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@H](C)[C@](O)(CCC3=COC=C3)[C@@]4(C)CCC[C@](C)(C(=O)O1)[C@]24[H]

InChI

InChIKey=HQLLRHCTVDVUJB-OBHOOXMTSA-N

InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O4
Molecular Weight	332.4339
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:59:41 UTC 2023` Edited by `admin` on `Fri Dec 15 17:59:41 UTC 2023`
Record UNII	AP086P88M4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MARRUBIIN

Common Name

English

NSC-36693

Code

English

MARRUBIIN [MI]

Common Name

English

(2AS,5AS,6R,7R,8AR,8BR)-6-(2-(3-FURANYL)ETHYL)DECAHYDRO-6-HYDROXY-2A,5A,7-TRIMETHYL-2H-NAPHTHO(1,8-BC)FURAN-2-ONE

Common Name

English

Code System Code Type Description

MESH

C105731