(Q110179669)

English

(2Z,4E,6R)-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hepta-2,4-dienoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cycloartane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

452.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₃

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canonical SMILES

O=C(O)C(=CC=CC(C)C1CCC2(C)C3CCC4C(C(=O)CCC54CC35CCC12C)(C)C)C

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isomeric SMILES

C/C(=C/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O

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found in taxon

Propolis

1 reference

stated in

Chemical constituents of propolis from Myanmar and their preferential cytotoxicity against a human pancreatic cancer cell line

Identifiers

InChI

InChI=1S/C30H44O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h7-9,19,21-23H,10-18H2,1-6H3,(H,32,33)/b8-7+,20-9-/t19-,21-,22+,23+,27-,28+,29-,30+/m1/s1

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InChIKey

LGVFNUIOBMTGRA-XAYHMBTESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LGVFNUIOBMTGRA-XAYHMBTESA-N

1 reference

(Q110179669)

(2Z,4E,6R)-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hepta-2,4-dienoic acid

Statements

Identifiers

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