RAUCAFFRINOLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24N2O3
Molecular Weight	352.4269
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H]3C[C@]4([C@@H]1OC(C)=O)C(=NC5=CC=CC=C45)[C@@H]6C[C@H]2[C@@H](CO)[C@H](C)N36

InChI

InChIKey=XIMPCXFLDSKALH-AFXVYWMKSA-N

InChI=1S/C21H24N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,10,12-13,16-18,20,24H,7-9H2,1-2H3/t10-,12-,13-,16-,17-,18-,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H24N2O3
Molecular Weight	352.4269
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:09 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:09 GMT 2023`
Record UNII	3DFF5QDK46
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RAUCAFFRINOLINE

Common Name

English

[(1R,10S,12S,13R,14S,16S,18R)-13-(hydroxymethyl)-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate

Systematic Name

English

18-NORAJMALAN-17,19-DIOL, 1,2-DIDEHYDRO-1-DEMETHYL-21-METHYL-, 17-ACETATE, (17R,20.ALPHA.,21.BETA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

56927714