Wedeloside

Details

Stereochemistry	MIXED
Molecular Formula	C40H55NO13
Molecular Weight	757.8636
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CC(=O)NC1C(OC2CC3(C)C4CCC5(O)CC4(CCC3C(C2)(C(O)=O)C(O)=O)C(O)C5=C)OC(CO)C(O)C1OC(=O)CCC6=CC=CC=C6

InChI

InChIKey=KORXNOWCVVACSW-UHFFFAOYSA-N

InChI=1S/C40H55NO13/c1-21(2)16-28(43)41-30-32(54-29(44)11-10-23-8-6-5-7-9-23)31(45)25(19-42)53-34(30)52-24-17-37(4)26-13-15-39(51)20-38(26,33(46)22(39)3)14-12-27(37)40(18-24,35(47)48)36(49)50/h5-9,21,24-27,30-34,42,45-46,51H,3,10-20H2,1-2,4H3,(H,41,43)(H,47,48)(H,49,50)

HIDE SMILES / InChI

Molecular Formula	C40H55NO13
Molecular Weight	757.8636
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:44:26 GMT 2025` Edited by `admin` on `Mon Mar 31 21:44:26 GMT 2025`
Record UNII	R5MCJ5G8DJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Wedeloside

Common Name

English

Kaur-16-ene-18,19-dioic acid, 2-[[2-deoxy-2-[(3-methyl-1-oxobutyl)amino]-3-O-(1-oxo-3-phenylpropyl)-?-D-glucopyranosyl]oxy]-13,15-dihydroxy-, (2?,15?)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID70996204

Created by admin on Mon Mar 31 21:44:26 GMT 2025 , Edited by admin on Mon Mar 31 21:44:26 GMT 2025

PRIMARY

CAS

74686-30-9

Created by admin on Mon Mar 31 21:44:26 GMT 2025 , Edited by admin on Mon Mar 31 21:44:26 GMT 2025

PRIMARY

PUBCHEM

156818

Created by admin on Mon Mar 31 21:44:26 GMT 2025 , Edited by admin on Mon Mar 31 21:44:26 GMT 2025

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FDA UNII

R5MCJ5G8DJ

Created by admin on Mon Mar 31 21:44:26 GMT 2025 , Edited by admin on Mon Mar 31 21:44:26 GMT 2025

PRIMARY