(Q105252571)

English

(1S,4S,5R,9R,10R,11S,13R,14S,16S)-10,16-dihydroxy-5,9,13-trimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecane-5-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

10,16-Dihydroxy-5,9,13-trimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

1 reference

C₂₀H₃₀O₅

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CCC34CC5CC(OC5(C)C3O)C24O

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isomeric SMILES

C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(C)[C@H]1O)[C@]32O

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found in taxon

Adenostemma lavenia

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stated in

Kaurane-type diterpenes from Adenostemma lavenia O. Kuntze.

Adenostemma viscosum

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stated in

Kaurane-type diterpenes from Adenostemma lavenia O. Kuntze.

Identifiers

InChI

InChI=1S/C20H30O5/c1-16(15(22)23)6-4-7-17(2)12(16)5-8-19-10-11-9-13(20(17,19)24)25-18(11,3)14(19)21/h11-14,21,24H,4-10H2,1-3H3,(H,22,23)/t11-,12-,13+,14-,16-,17-,18-,19+,20-/m1/s1

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InChIKey

SGRXKDSYPFTIOV-RIEWYAQUSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SGRXKDSYPFTIOV-RIEWYAQUSA-N

1 reference

(Q105252571)

(1S,4S,5R,9R,10R,11S,13R,14S,16S)-10,16-dihydroxy-5,9,13-trimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecane-5-carboxylic acid

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Identifiers

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