SAMANDARINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H31NO2
Molecular Weight	305.4549
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](O)C[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@H]5NC[C@H](O5)[C@]34C

InChI

InChIKey=HJCSQOSWSRPBOU-XTXNWKRWSA-N

InChI=1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H31NO2
Molecular Weight	305.4549
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:48:33 GMT 2023` Edited by `admin` on `Sat Dec 16 08:48:33 GMT 2023`
Record UNII	IJN7TXF3HK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAMANDARINE

Common Name

English

SAMANDARIN

Common Name

English

SAMANDARINE [MI]

Common Name

English

2,5-EPOXYCYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-9-OL, OCTADECAHYDRO-5A,7A-DIMETHYL-, (2S-(2.ALPHA.,5.ALPHA.,5A.BETA.,5B.ALPHA.,7A.BETA.,9.BETA.,10A.ALPHA.,10B.BETA.,12A.BETA.))-

Systematic Name

English

2,5-EPOXYCYCLOPENTA(5,6)NAPHTH(1,2-D)AZEPIN-9-OL, OCTADECAHYDRO-5A,7A-DIMETHYL-, (2S,5R,5AS,5BS,7AR,9S,10AS,10BS,12AR)-

Systematic Name

English

1.ALPHA.,4.ALPHA.,5.BETA.,16.BETA.)-1,4-EPOXY-3-AZA-A-HOMOANDROSTAN-16-OL

Common Name

English

Code System Code Type Description

MERCK INDEX

m9753