SAMANDARIDINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H31NO3
Molecular Weight	345.4757
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H]6NC[C@H](O6)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])CC(=O)O2

InChI

InChIKey=GUSZSGSYIVZEDM-MZDLDJOOSA-N

InChI=1S/C21H31NO3/c1-20-6-5-13-12(14(20)8-16-15(20)9-19(23)24-16)4-3-11-7-18-22-10-17(25-18)21(11,13)2/h11-18,22H,3-10H2,1-2H3/t11-,12-,13+,14+,15+,16+,17+,18+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H31NO3
Molecular Weight	345.4757
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:35:57 GMT 2023` Edited by `admin` on `Sat Dec 16 17:35:57 GMT 2023`
Record UNII	WCB49WL3GW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAMANDARIDINE

Common Name

English

2,5-EPOXYFURO(3,2:3,4)CYCLOPENTA(1,2:5,6)NAPHTH(1,2-D)AZEPIN-9(1H)-ONE, OCTADECAHYDRO-5A,7A-DIMETHYL-, (2S,5R,5AS,5BS,7AS,7BR,10AS,11AS,11BS,13AR)-

Systematic Name

English

(2S,5R,5AS,5BS,7AS,7BR,10AS,11AS,11BS,13AR)-OCTADECAHYDRO-5A,7A-DIMETHYL-2,5-EPOXYFURO(3,2:3,4)CYCLOPENTA(1,2:5,6)NAPHTH(1,2-D)AZEPIN-9(1H)-ONE

Systematic Name

English

3-AZA-A-HOMOPREGNAN-21-OIC ACID, 1,4-EPOXY-16-HYDROXY-, .GAMMA.-LACTONE, (1.ALPHA.,4.ALPHA.,5.BETA.,16.BETA.)-

Systematic Name

English

SAMANDARIDIN

Common Name

English

2,5-EPOXYFURO(3,2:3,4)CYCLOPENTA(1,2:5,6)NAPHTH(1,2-D)AZEPIN-9(1H)-ONE, OCTADECAHYDRO-5A,7A-DIMETHYL-, (2S-(2.ALPHA.,5.ALPHA.,5A.BETA.,5B.ALPHA.,7A.BETA.,7B.ALPHA.,10A.ALPHA.,11A.ALPHA.,11B.BETA.,13A.BETA.))-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Samandaridine