(1R,2R,10S,12S,14R,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one (Q104398860)

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chemical compound

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Language	Label	Description	Also known as
English	(1R,2R,10S,12S,14R,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

(1S,2R,10S,14S,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.0¹,¹⁴.0²,¹⁰.0⁶,¹⁰]octadeca-3,5-dien-7-one

1 reference

based on heuristic

inferred from SMILES

16-(Furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one

1 reference

based on heuristic

inferred from SMILES

mass

340.13107374 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R,10S,12S,14S,16S,18R)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,10S,12R,14R,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2S,10S,12R,14R,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₀O₅

0 references

canonical SMILES

O=C1OCC23C1=CC=CC2C45CC(OC5OC(C3)C4C)C6=COC=C6

0 references

isomeric SMILES

C[C@@H]1[C@@H]2C[C@@]34COC(=O)C3=CC=C[C@H]4[C@]13C[C@H](c1ccoc1)O[C@H]3O2

0 references

found in taxon

Salvia uruapana

1 reference

stated in

Phytochemical study of Salvia Canescens L

Salvia leucantha

1 reference

stated in

Salvigenane and isosalvipuberulan diterpenoids from Salvia leucantha

Salvia farinacea

2 references

stated in

The correct structure of salvifaricin a cis neo-clerodane diterpenoid from Salvia farinacea

stated in

Salvifarin and salvifaricin, neo-clerodane diterpenoids from salvia farinacea

Salvia tonalensis

1 reference

stated in

Languidulane, clerodane and secoclerodane diterpenes from Salvia tonalensis

Salvia xalapensis

1 reference

stated in

Polystachynes A-E, five cis-neo-clerodane diterpenoids from Salvia polystachya

Identifiers

InChI

InChI=1S/C20H20O5/c1-11-14-7-19-10-23-17(21)13(19)3-2-4-16(19)20(11)8-15(25-18(20)24-14)12-5-6-22-9-12/h2-6,9,11,14-16,18H,7-8,10H2,1H3/t11-,14+,15-,16-,18-,19-,20+/m1/s1

0 references

InChIKey

HIKUAKUTPBLJKQ-DIJJSJQNSA-N

0 references

PubChem CID

101586388

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HIKUAKUTPBLJKQ-DIJJSJQNSA-N

UniChem compound ID

97556034

1 reference

stated in

UniChem

 

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