(Q105207325)

English

(1R,2S,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-hydroxy-2-(hydroxymethyl)-1,14,17,17-tetramethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

16-Hydroxy-2-(hydroxymethyl)-1,14,17,17-tetramethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

502.329439192 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₆

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canonical SMILES

O=C(O)C1C(O)C(C)(C)C2CCC3(C)C(CCC4C5C(C(=C)C)CCC5(C(=O)O)CCC43CO)C12C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(CO)[C@H](CC[C@@H]4[C@@]5(C)[C@@H](C(=O)O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

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found in taxon

Ceanothus americanus

1 reference

stated in

Antimicrobial compounds from Ceanothus americanus against oral pathogens

Identifiers

InChI

InChI=1S/C30H46O6/c1-16(2)17-9-12-29(25(35)36)13-14-30(15-31)18(21(17)29)7-8-20-27(30,5)11-10-19-26(3,4)23(32)22(24(33)34)28(19,20)6/h17-23,31-32H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18+,19-,20-,21+,22+,23-,27+,28-,29-,30-/m0/s1

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InChIKey

PESUICNHFIBIRR-ADCWDTJLSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105207325)

(1R,2S,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-hydroxy-2-(hydroxymethyl)-1,14,17,17-tetramethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid

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