(Q105291988)

English

(1R,4S,5R,9R,10R,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-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

(1R,4S,5R,9R,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

11,15-Dihydroxy-16-kauren-19-oic acid

1 reference

based on heuristic

inferred from SMILES

mass

334.21440944 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4S,5R,9R,10S,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₄

0 references

canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CCC34CC(C(=C)C3O)CC(O)C24

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isomeric SMILES

C=C1[C@@H]2C[C@H](O)[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O

0 references

found in taxon

Grazielia serrata

1 reference

stated in

Germacranolides, a guaianolide with a β-lactone ring and further constituents from Grazielia species

Pulicaria laciniata

1 reference

stated in

Isolation and structure determination of pulicazine, a new sesquiterpene lactone from the Tunisian Pulicaria laciniata (Coss.et Kral.) Thell.

Identifiers

InChI

InChI=1S/C20H30O4/c1-11-12-9-13(21)15-18(2)6-4-7-19(3,17(23)24)14(18)5-8-20(15,10-12)16(11)22/h12-16,21-22H,1,4-10H2,2-3H3,(H,23,24)/t12-,13+,14+,15-,16-,18-,19-,20-/m1/s1

0 references

InChIKey

VRVOLALMVUEAHP-JYSNTAMXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VRVOLALMVUEAHP-JYSNTAMXSA-N

(Q105291988)

(1R,4S,5R,9R,10R,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

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Identifiers

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