(Q105344190)

English

[(1S,2R,4aS,7S,8aR)-7-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,4,7,8,8a-hexahydronaphthalen-4a-yl]methyl acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[7-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,4,7,8,8a-hexahydronaphthalen-4a-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

392.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,4aR,7S,8R,8aS)-2-hydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₆

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canonical SMILES

O=C1OCC(=C1)CCC2(C)C(C)CCC3(C(=CC(O)CC32)CO)COC(=O)C

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isomeric SMILES

CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1C[C@H](O)C=C2CO

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Eschenbachia blinii

2 references

Blinin, a neoclerodane diterpene from Conyza blinii

Terpenoids from Conyza stricta

Identifiers

InChI=1S/C22H32O6/c1-14-4-7-22(13-28-15(2)24)17(11-23)9-18(25)10-19(22)21(14,3)6-5-16-8-20(26)27-12-16/h8-9,14,18-19,23,25H,4-7,10-13H2,1-3H3/t14-,18-,19-,21+,22-/m1/s1

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XXSSNTKMBVTREV-DDHROXKOSA-N

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1 reference

26 December 2021

UniChem compound ID

1 reference

Probes And Drugs ID

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