(Q105113436)

English

[(1R,4S,5R,6R,9S,10R,12S,13S,14R)-5-(hydroxymethyl)-5,9,13-trimethyl-6-pentacyclo[11.2.1.01,10.04,9.012,14]hexadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-(Hydroxymethyl)-5,9,13-trimethyl-6-pentacyclo[11.2.1.01,10.04,9.012,14]hexadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

346.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4S,5S,6R,9S,10R,12S,13S,14R)-5-(hydroxymethyl)-5,9,13-trimethyl-6-pentacyclo[11.2.1.01,10.04,9.012,14]hexadecanyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₃

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canonical SMILES

O=C(OC1CCC2(C)C(CCC34CC5C(CC23)C5(C)C4)C1(C)CO)C

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isomeric SMILES

CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]34C[C@@H]5[C@H](C[C@@H]23)[C@]5(C)C4)[C@]1(C)CO

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found in taxon

Jungermannia exsertifolia

1 reference

stated in

Structure and anti-TB activity of trachylobanes from the liverwort Jungermannia exsertifolia ssp. cordifolia

Identifiers

InChI

InChI=1S/C22H34O3/c1-13(24)25-18-6-7-19(2)16(21(18,4)12-23)5-8-22-10-15-14(9-17(19)22)20(15,3)11-22/h14-18,23H,5-12H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21-,22+/m0/s1

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InChIKey

IIFAULFSLBRVHS-OHNMIPRVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IIFAULFSLBRVHS-OHNMIPRVSA-N

(Q105113436)

[(1R,4S,5R,6R,9S,10R,12S,13S,14R)-5-(hydroxymethyl)-5,9,13-trimethyl-6-pentacyclo[11.2.1.01,10.04,9.012,14]hexadecanyl] acetate

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Identifiers

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