(Q105313595)

English

(1S,2S,6S,10R,11S,14S,15R,18R,20S)-20-hydroxy-8,8,14,15,19,19-hexamethyl-10-[(2R)-2-methylbutanoyl]oxy-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

0 references

subclass of

20-Hydroxy-8,8,14,15,19,19-hexamethyl-10-(2-methylbutanoyloxy)-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

570.392039448 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₄O₆

0 references

canonical SMILES

O=C(O)C12CCC3(C(=CCC4C3(C)CCC5C(C)(C)C6(O)OCC45CC6)C2CC(C)(C)CC1OC(=O)C(C)CC)C

0 references

isomeric SMILES

CC[C@@H](C)C(=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@]21C(=O)O

0 references

found in taxon

Lippia turbinata

1 reference

stated in

Antitubercular activity of triterpenoids from Lippia turbinata.

Identifiers

InChI

InChI=1S/C35H54O6/c1-9-21(2)27(36)41-26-19-29(3,4)18-23-22-10-11-25-32(8,31(22,7)14-16-34(23,26)28(37)38)13-12-24-30(5,6)35(39)17-15-33(24,25)20-40-35/h10,21,23-26,39H,9,11-20H2,1-8H3,(H,37,38)/t21-,23+,24+,25+,26-,31-,32-,33-,34+,35+/m1/s1

0 references

InChIKey

WVLBJJGQOYFFGO-QLSXXVJISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WVLBJJGQOYFFGO-QLSXXVJISA-N

(Q105313595)

(1S,2S,6S,10R,11S,14S,15R,18R,20S)-20-hydroxy-8,8,14,15,19,19-hexamethyl-10-[(2R)-2-methylbutanoyl]oxy-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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