(Q105147728)

English

(1S,2R,5R,6R,7R,10S,13R,14R,17R,19S)-19-hydroxy-13,14,18,18-tetramethyl-7-prop-1-en-2-yl-20-oxahexacyclo[17.2.2.01,17.02,14.05,13.06,10]tricosane-10-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

19-hydroxy-13,14,18,18-tetramethyl-7-(prop-1-en-2-yl)-20-oxahexacyclo[17.2.2.0¹,¹⁷.0²,¹⁴.0⁵,¹³.0⁶,¹⁰]tricosane-10-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-Hydroxy-3,25-epoxylup-20(29)-en-28-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

O=C(O)C12CCC(C(=C)C)C2C3CCC4C(C)(CCC5C(C)(C)C6(O)OCC54CC6)C3(C)CC1

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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@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]12

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found in taxon

Lantana camara

1 reference

stated in

Triterpenes of toxic and non-toxic taxa ofLantana camara

Identifiers

InChI

InChI=1S/C30H46O4/c1-18(2)19-9-12-28(24(31)32)14-13-26(5)20(23(19)28)7-8-22-27(26,6)11-10-21-25(3,4)30(33)16-15-29(21,22)17-34-30/h19-23,33H,1,7-17H2,2-6H3,(H,31,32)/t19-,20+,21-,22+,23+,26+,27+,28-,29+,30-/m0/s1

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InChIKey

KYHMRXXFJAZYRF-SZHLLIECSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KYHMRXXFJAZYRF-SZHLLIECSA-N

(Q105147728)

(1S,2R,5R,6R,7R,10S,13R,14R,17R,19S)-19-hydroxy-13,14,18,18-tetramethyl-7-prop-1-en-2-yl-20-oxahexacyclo[17.2.2.01,17.02,14.05,13.06,10]tricosane-10-carboxylic acid

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Identifiers

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