(Q110179673)

English

(E,6R)-4-hydroxy-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

group of stereoisomers with the chemical formula C₃₀H₄₈O₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Propolis

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stated in

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

Identifiers

InChI

InChI=1S/C30H48O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-24,31-32H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,20?,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1

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InChIKey

MZUPEDPADUBWHX-KZYMGZHWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MZUPEDPADUBWHX-KZYMGZHWSA-N

1 reference

(Q110179673)

(E,6R)-4-hydroxy-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

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Identifiers

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