(Q105351493)

English

6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₄₂H₆₆O₁₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

794.4452567920005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₆₆O₁₄

0 references

canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)C)C(O)C(O)C1O

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found in taxon

Panax japonicus

5 references

stated in

Pancreatic lipase-inhibiting triterpenoid saponins from fruits of Acanthopanax senticosus.

stated in

Bioactive constituents from the roots of Panax japonicus var. major and development of a LC-MS/MS method for distinguishing between natural and artifactual compounds

stated in

New Dammarane-Type Saponins from the Rhizomes of Panax japonicus

stated in

Panajaponin, a new glycosphingolipid from Panax japonicus

stated in

Suppression of Fas-mediated apoptosis of keratinocyte cells by chikusetsusaponins isolated from the roots of Panax japonicus

Pfaffia iresinoides

1 reference

stated in

Ecdysteroids from Pfaffia iresinoides and reassignment of some 13CNMR chemical shifts☆

Identifiers

InChI

InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)

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InChIKey

YOSRLTNUOCHBEA-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YOSRLTNUOCHBEA-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0250078

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YOSRLTNUOCHBEA-UHFFFAOYSA-N

Probes And Drugs ID

PD065070

0 references

(Q105351493)

6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Statements

Identifiers

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