(Q115970227)

English

(1S,2S,6S,10R,11S,14S,15R,18R,20R)-20-hydroxy-8,8,14,15,19,19-hexamethyl-10-(3-methylbut-2-enoyloxy)-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

oleanane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

568.376389384 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₂O₆

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canonical SMILES

O=C(OC1CC(C)(C)CC2C3=CCC4C(C)(CCC5C(C)(C)C6(O)OCC45CC6)C3(C)CCC12C(=O)O)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@]56CC[C@@](O)(OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O

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found in taxon

Lippia turbinata

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stated in

Antitubercular activity of triterpenoids from Lippia turbinata.

Identifiers

InChI

InChI=1S/C35H52O6/c1-21(2)17-27(36)41-26-19-29(3,4)18-23-22-9-10-25-32(8,31(22,7)13-15-34(23,26)28(37)38)12-11-24-30(5,6)35(39)16-14-33(24,25)20-40-35/h9,17,23-26,39H,10-16,18-20H2,1-8H3,(H,37,38)/t23-,24-,25-,26+,31+,32+,33+,34-,35+/m0/s1

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InChIKey

HGMVESCHSMFWDD-FFHSXQEQSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

HGMVESCHSMFWDD-FFHSXQEQSA-N

1 reference

(Q115970227)

(1S,2S,6S,10R,11S,14S,15R,18R,20R)-20-hydroxy-8,8,14,15,19,19-hexamethyl-10-(3-methylbut-2-enoyloxy)-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid

Statements

Identifiers

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