(Q105209683)

English

(1S,4S,5S,6S,9S,10R,12S,13S)-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-6-ol

group of stereoisomers with the chemical formula C₂₀H₃₂O₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

304.240230264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₂

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canonical SMILES

OCC1(C)C(O)CCC2(C)C1CCC34CC5C(CC32)C5(C)C4

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isomeric SMILES

C[C@]12C[C@@]34CC[C@@H]5[C@@](C)(CO)[C@@H](O)CC[C@@]5(C)[C@@H]3C[C@H]1C2C4

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found in taxon

Croton gratissimus var. gratissimus

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stated in

Vasorelaxant Activity of Diterpenes fromCrotonzambesicusand Synthetic Trachylobanes and Their Structure−Activity Relationships

Identifiers

InChI

InChI=1S/C20H32O2/c1-17-6-5-16(22)19(3,11-21)14(17)4-7-20-9-13-12(8-15(17)20)18(13,2)10-20/h12-16,21-22H,4-11H2,1-3H3/t12-,13?,14-,15-,16-,17+,18-,19+,20-/m0/s1

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InChIKey

PIRXBCDSMORUTK-DEQNQCBWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PIRXBCDSMORUTK-DEQNQCBWSA-N

1 reference

(Q105209683)

(1S,4S,5S,6S,9S,10R,12S,13S)-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-6-ol

Statements

Identifiers

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