Secologanin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H24O10
Molecular Weight	388.3665
Optical Activity	( - )
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC=O

InChI

InChIKey=CSKKDSFETGLMSB-NRZPKYKESA-N

InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H24O10
Molecular Weight	388.3665
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 22:22:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:22:21 GMT 2025`
Record UNII	NK7B26K93T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Secologanin

Common Name

English

NSC-640525

Preferred Name

English

Loniceroside (iridoid)

Common Name

English

2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(?-D-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-, methyl ester, (2S,3R,4S)-

Systematic Name

English

Loniceroside

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30941033