ANNOTININE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H21NO3
Molecular Weight	275.3428
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1C[C@@]23[C@@H]4CCCN2C[C@H]5O[C@H]5[C@@]13[C@@H]6C[C@H]4OC6=O

InChI

InChIKey=MVITYUVPZPGMRM-LZPZFNHJSA-N

InChI=1S/C16H21NO3/c1-8-6-15-9-3-2-4-17(15)7-12-13(19-12)16(8,15)10-5-11(9)20-14(10)18/h8-13H,2-7H2,1H3/t8-,9-,10-,11-,12-,13-,15+,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H21NO3
Molecular Weight	275.3428
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 `Mon Mar 31 21:44:54 GMT 2025` Edited by `admin` on `Mon Mar 31 21:44:54 GMT 2025`
Record UNII	TW2IG33869
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANNOTININE

Common Name

English

NSC-288515

Preferred Name

English

(1S-(1.ALPHA.,4.ALPHA.,4A.ALPHA.,9A.ALPHA.,10A.ALPHA.,10B.ALPHA.,10C.BETA.,12S*))-HEXAHYDRO-12-METHYL-10B,10C-ETHANO-1,4-METHANO-4H,9H-OXEPINO(3,4,5-IJ)OXIRENO(B)QUINOLIZIN-2(1H)-ONE

Common Name

English

ANNOTININE [MI]

Common Name

English

10B,10C-ETHANO-1,4-METHANO-4H,9H-OXEPINO(3,4,5-IJ)OXIRENO(B)QUINOLIZIN-2(1H)-ONE, HEXAHYDRO-12-METHYL-, (1S,4R,4AS,9AR,10AS,10BS,10CS,12R)-

Common Name

English

ANNOTININ

Common Name

English

Code System Code Type Description

NSC

288515