(Q82961712)

English

Lup-20(29)-ene-3,16,28-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

lupane

0 references

mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₃

0 references

canonical SMILES

OCC12CCC(C(=C)C)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1O

0 references

found in taxon

Chuquiraga erinacea

1 reference

stated in

Triterpenoids with acetylcholinesterase inhibition from Chuquiraga erinacea D. Don. subsp. erinacea (Asteraceae).

Identifiers

InChI

InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3

0 references

InChIKey

TWKNDDJHVQUEJF-UHFFFAOYSA-N

0 references

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TWKNDDJHVQUEJF-UHFFFAOYSA-N

ChEBI ID

190365

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3

1 reference

1 reference

matched by identifier from

InChIKey

TWKNDDJHVQUEJF-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID601404108

0 references

NSC number

294921

0 references

Human Metabolome Database ID

HMDB0035034

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

TWKNDDJHVQUEJF-UHFFFAOYSA-N

(Q82961712)

Lup-20(29)-ene-3,16,28-triol

Statements

Identifiers

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