(Q105026042)

English

methyl (1S,4S,5R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

334.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₄O₃

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canonical SMILES

O=C(OC)C1(C)CCCC2(C)C1CCC34CC(CO)C(CCC32)C4

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isomeric SMILES

COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](CO)[C@H](CC[C@H]12)C3

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found in taxon

Baccharis minutiflora

1 reference

stated in

Diterpenes from Baccharis species

Beyeria leschenaultii

1 reference

stated in

The chemistry of the Euphorbiaceae. XX. Further compounds from Beyeria leschenaultii 12β,17-Dihydroxy-16α-( - )-kauran-19-oic acid

Identifiers

InChI

InChI=1S/C21H34O3/c1-19-8-4-9-20(2,18(23)24-3)16(19)7-10-21-11-14(5-6-17(19)21)15(12-21)13-22/h14-17,22H,4-13H2,1-3H3/t14-,15+,16+,17+,19-,20-,21+/m1/s1

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InChIKey

HCXQUFPQHLFUCK-RXCZXEIFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HCXQUFPQHLFUCK-RXCZXEIFSA-N

(Q105026042)

methyl (1S,4S,5R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

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