SESAMOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H24O12
Molecular Weight	420.3653
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]1(C)[C@@]3([H])[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C(C(=O)OC)[C@@]3(O)[C@@H]2O

InChI

InChIKey=XZVXEPPPQBLGMQ-HISQCTEXSA-N

InChI=1S/C17H24O12/c1-16-10-15(28-14-9(21)8(20)7(19)6(3-18)27-14)26-4-5(13(23)25-2)17(10,24)11(22)12(16)29-16/h4,6-12,14-15,18-22,24H,3H2,1-2H3/t6-,7-,8+,9-,10-,11-,12+,14+,15+,16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H24O12
Molecular Weight	420.3653
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
[Chemical constituents of Pedicularis muscicola Maxim].	1997 Mar	10743186
[Isolation and identification of nine iridoid glycosides from Lamiophlomis rotata by HPLC combining PDA and MS].	2014 Mar	25174110
Chemical characterization and biological activity in young sesame leaves (Sesamum indicum L.) and changes in iridoid and polyphenol content at different growth stages.	2018	29584748

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:49:35 GMT 2023` Edited by `admin` on `Sat Dec 16 04:49:35 GMT 2023`
Record UNII	Q2S45L3ZVB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SESAMOSIDE

Common Name

English

Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, (1aR,1bS,2S,5aR,6R,6aS)-

Common Name

English

Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, [1aR-(1aα,1bβ,2β,5aβ,6β,6aα)]-

Common Name

English

Code System Code Type Description

CAS

117479-87-5

Created by admin on Sat Dec 16 04:49:35 GMT 2023 , Edited by admin on Sat Dec 16 04:49:35 GMT 2023

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PUBCHEM

3082856

Created by admin on Sat Dec 16 04:49:35 GMT 2023 , Edited by admin on Sat Dec 16 04:49:35 GMT 2023

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EPA CompTox

DTXSID00922430

Created by admin on Sat Dec 16 04:49:35 GMT 2023 , Edited by admin on Sat Dec 16 04:49:35 GMT 2023

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FDA UNII

Q2S45L3ZVB

Created by admin on Sat Dec 16 04:49:35 GMT 2023 , Edited by admin on Sat Dec 16 04:49:35 GMT 2023

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