(Q105209686)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-(Hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-6-ol

1 reference

based on heuristic

inferred from SMILES

(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

1 reference

based on heuristic

inferred from SMILES

mass

304.240230264 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-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-6-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Trachylobane-3alpha,18-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₂

0 references

canonical SMILES

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

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isomeric SMILES

C[C@@]1(CO)[C@H]2CC[C@@]34C[C@H]5[C@@H](C[C@H]3[C@]2(C)CC[C@H]1O)[C@@]5(C)C4

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found in taxon

Croton macrostachys

1 reference

stated in

Diterpenoids from the roots of Croton macrostachys

Croton gratissimus var. gratissimus

1 reference

stated in

Diterpenes isolated from Croton zambesicus inhibit KCl-induced contraction

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+/m1/s1

0 references

InChIKey

PIRXBCDSMORUTK-OVUGYWDRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PIRXBCDSMORUTK-OVUGYWDRSA-N

(Q105209686)

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

Statements

Identifiers

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