(Q105307872)

English

(1R,2R,5S,8R,9R,10R,13S,14R,15R,16S,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-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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Statements

instance of

type of chemical entity

0 references

1 reference

486.334524572 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,5S,8R,9R,10S,13S,14R,15S,16R,18S)-16-hydroxy-1,2,14,17,17-pentamethyl-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 InChIKey

isoceanothic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,5S,8R,9S,10R,13R,14R,15R,16S,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-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 InChI

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

1 reference

1 reference

C₃₀H₄₆O₅

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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)CCC43C)C12C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[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

Discaria americana

1 reference

stated in

Triterpenoids from discaria longispina and colletia paradoxa

Identifiers

InChI

InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20+,21+,22+,23-,27+,28+,29-,30-/m0/s1

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InChIKey

WLCHQSHZHFLMJH-YSQLZQOBSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105307872)

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

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Identifiers

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