(Q105278778)

English

(1S,4S,5R,9R,10R,13R,15S)-10-hydroxy-5,9-dimethyl-15-(3-methylbutanoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-hydroxy-5,9-dimethyl-15-[(3-methylbutanoyl)oxy]-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

418.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₅

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canonical SMILES

O=C(OC1C(=C)C2CCC3(O)C4(C)CCCC(C(=O)O)(C)C4CCC13C2)CC(C)C

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isomeric SMILES

C=C1[C@H](OC(=O)CC(C)C)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3

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found in taxon

Espeletiopsis guacharaca

1 reference

stated in

Tricyclic sesquiterpenes and further diterpenes from Espeletiopsis species

Espeletia guacharaca

1 reference

stated in

Tricyclic sesquiterpenes and further diterpenes from Espeletiopsis species

Identifiers

InChI

InChI=1S/C25H38O5/c1-15(2)13-19(26)30-20-16(3)17-7-12-25(29)23(5)10-6-9-22(4,21(27)28)18(23)8-11-24(20,25)14-17/h15,17-18,20,29H,3,6-14H2,1-2,4-5H3,(H,27,28)/t17-,18-,20+,22-,23-,24+,25-/m1/s1

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InChIKey

UTHOMKGHTWOWNR-IWOFRZIQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UTHOMKGHTWOWNR-IWOFRZIQSA-N

(Q105278778)

(1S,4S,5R,9R,10R,13R,15S)-10-hydroxy-5,9-dimethyl-15-(3-methylbutanoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Statements

Identifiers

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