(Q110174871)

English

(6R)-2-(hydroxymethyl)-6-[(1S,3R,7R,8R,11S,12S,15R,16R)-7-(hydroxymethyl)-7,12,16-trimethyl-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

486.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(24E)-3-Oxo-27,28-dihydroxycycloarta-24-ene-26-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₅

0 references

canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC4C(C(=O)CCC54CC35CCC12C)(C)CO)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]4[C@](C)(CO)C(=O)CC[C@@]45C[C@@]35CC[C@]12C

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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/C30H46O5/c1-19(6-5-7-20(16-31)25(34)35)21-10-12-28(4)23-9-8-22-26(2,18-32)24(33)11-13-29(22)17-30(23,29)15-14-27(21,28)3/h7,19,21-23,31-32H,5-6,8-18H2,1-4H3,(H,34,35)/t19-,21-,22+,23+,26+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

YHPYXXXAIAEZTM-SIBMZLJASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YHPYXXXAIAEZTM-SIBMZLJASA-N

(Q110174871)

(6R)-2-(hydroxymethyl)-6-[(1S,3R,7R,8R,11S,12S,15R,16R)-7-(hydroxymethyl)-7,12,16-trimethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid

Statements

Identifiers

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