(Q110176324)

English

(6R)-2-(hydroxymethyl)-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]hept-2-enoic 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

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2E,6R)-2-(hydroxymethyl)-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

0 references

canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC4C(C(=O)CCC54CC35CCC12C)(C)C)CO

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isomeric SMILES

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

0 references

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/C30H46O4/c1-19(7-6-8-20(17-31)25(33)34)21-11-13-28(5)23-10-9-22-26(2,3)24(32)12-14-29(22)18-30(23,29)16-15-27(21,28)4/h8,19,21-23,31H,6-7,9-18H2,1-5H3,(H,33,34)/t19-,21-,22+,23+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

VEPCBVRKVVOSDM-ZCKAMSKTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VEPCBVRKVVOSDM-ZCKAMSKTSA-N

(Q110176324)

(6R)-2-(hydroxymethyl)-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]hept-2-enoic acid

Statements

Identifiers

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