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

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@]4(C)O[C@H]4[C@@H](O)[C@]13O

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 characterization and biological activity in young sesame leaves (Sesamum indicum L.) and changes in iridoid and polyphenol content at different growth stages.	2018	29584748
[Determination of eight components in Lamiophlomis rotate by UPLC method and preliminary study on influencing factors of contents].	2017-12	29493151
[Isolation and identification of nine iridoid glycosides from Lamiophlomis rotata by HPLC combining PDA and MS].	2014-03	25174110
[Chemical constituents of Pedicularis muscicola Maxim].	1997-03	10743186

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:23:58 GMT 2025` Edited by `admin` on `Mon Mar 31 21:23:58 GMT 2025`
Record UNII	Q2S45L3ZVB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

SESAMOSIDE

Common Name

English

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

Common Name

English

Code System Code Type Description

CAS

117479-87-5

Created by admin on Mon Mar 31 21:23:58 GMT 2025 , Edited by admin on Mon Mar 31 21:23:58 GMT 2025

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PUBCHEM

3082856

Created by admin on Mon Mar 31 21:23:58 GMT 2025 , Edited by admin on Mon Mar 31 21:23:58 GMT 2025

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EPA CompTox

DTXSID00922430

Created by admin on Mon Mar 31 21:23:58 GMT 2025 , Edited by admin on Mon Mar 31 21:23:58 GMT 2025

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FDA UNII

Q2S45L3ZVB

Created by admin on Mon Mar 31 21:23:58 GMT 2025 , Edited by admin on Mon Mar 31 21:23:58 GMT 2025

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