(Q104991907)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

334.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₃

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canonical SMILES

O=C(OC)C1CC23CCC4C(C)(CO)CCCC4(C)C3CCC1C2

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isomeric SMILES

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

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

0 references

InChIKey

DZNQMARSUVZEMD-VHKGBJFMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DZNQMARSUVZEMD-VHKGBJFMSA-N

(Q104991907)

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

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