(Q104945958)

English

methyl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

group of stereoisomers with the chemical formula C₃₁H₅₀O₃

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

470.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O₃

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canonical SMILES

O=C(OC)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

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found in taxon

Punica granatum

1 reference

stated in

Inhibition of Cathepsin D protease activity by Punica granatum fruit peel extracts, isolates, and semisynthetic analogs

Pistacia lentiscus

1 reference

stated in

Triterpenes from the galls of pistacia lentiscus

Identifiers

InChI

InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3

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InChIKey

BTXWOKJOAGWCSN-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BTXWOKJOAGWCSN-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0303067

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BTXWOKJOAGWCSN-UHFFFAOYSA-N

KNApSAcK ID

C00061416

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BTXWOKJOAGWCSN-UHFFFAOYSA-N

(Q104945958)

methyl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Statements

Identifiers

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