SECOXYLOGANIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H24O11
Molecular Weight	404.3659
Optical Activity	UNSPECIFIED
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)=O

InChI

InChIKey=MQLSOVRLZHTATK-PEYNGXJCSA-N

InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H24O11
Molecular Weight	404.3659
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:16:14 UTC 2023` Edited by `admin` on `Sat Dec 16 11:16:14 UTC 2023`
Record UNII	65J8K23L9L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SECOXYLOGANIN

Common Name

English

SECOLOGANOSIDE 11-METHYL ESTER

Common Name

English

2H-PYRAN-4-ACETIC ACID, 3-ETHENYL-2-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-, (2S,3R,4S)-

Systematic Name

English

(2S,3R,4S)-3-ETHENYL-2-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-2H-PYRAN-4-ACETIC ACID

Systematic Name

English

Code System Code Type Description

RS_ITEM_NUM

1611117