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
Variability of alkaloids in the skin secretion of the European fire salamander (Salamandra salamadra terrestris).	2005 Apr	15777956

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