(Q105012350)

English

(1S,4S,9R,10S,12R,13R,14S)-12-hydroxy-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

12-Hydroxy-14-(hydroxymethyl)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

1 reference

based on heuristic

inferred from SMILES

mass

336.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₄

0 references

canonical SMILES

O=C1CCC2(C)C(CCC34OC(CO)C(C)(C3)C(O)CC42)C1(C)C

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isomeric SMILES

CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](C)([C@@H](CO)O1)[C@H](O)C[C@H]32

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found in taxon

Liatris laevigata

1 reference

stated in

Eudesmanolides and ent-pimaranes from Liatris laevigata

Identifiers

InChI

InChI=1S/C20H32O4/c1-17(2)12-5-8-20-11-19(4,16(10-21)24-20)15(23)9-13(20)18(12,3)7-6-14(17)22/h12-13,15-16,21,23H,5-11H2,1-4H3/t12-,13+,15-,16-,18-,19-,20+/m1/s1

0 references

InChIKey

GNDZCNFXDJDLHB-RPEALRIASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GNDZCNFXDJDLHB-RPEALRIASA-N

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