(Q105163036)

English

[(1S,5S,6S,8R)-8-acetyloxy-5-[(1S,3S)-1-acetyloxy-3-hydroxy-3-methylpent-4-enyl]-1,5,6-trimethyl-2-oxo-4,6,7,8-tetrahydro-3H-naphthalen-1-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[8-acetyloxy-5-(1-acetyloxy-3-hydroxy-3-methylpent-4-enyl)-1,5,6-trimethyl-2-oxo-4,6,7,8-tetrahydro-3H-naphthalen-1-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

478.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,5S,6S,8R)-8-acetyloxy-5-[(1R,3S)-1-acetyloxy-3-hydroxy-3-methylpent-4-enyl]-1,5,6-trimethyl-2-oxo-4,6,7,8-tetrahydro-3H-naphthalen-1-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈O₈

0 references

canonical SMILES

O=C(OCC1(C(=O)CCC2=C1C(OC(=O)C)CC(C)C2(C)C(OC(=O)C)CC(O)(C=C)C)C)C

0 references

isomeric SMILES

C=C[C@@](C)(O)C[C@H](OC(C)=O)[C@]1(C)C2=C([C@H](OC(C)=O)C[C@@H]1C)[C@@](C)(COC(C)=O)C(=O)CC2

0 references

found in taxon

Leucas aspera

1 reference

stated in

Diterpenes from Leucas aspera inhibiting prostaglandin-induced contractions

Identifiers

InChI

InChI=1S/C26H38O8/c1-9-24(6,31)13-22(34-18(5)29)26(8)15(2)12-20(33-17(4)28)23-19(26)10-11-21(30)25(23,7)14-32-16(3)27/h9,15,20,22,31H,1,10-14H2,2-8H3/t15-,20+,22-,24+,25-,26-/m0/s1

0 references

InChIKey

MFWAONAGQVIAJO-QHOVAVLXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MFWAONAGQVIAJO-QHOVAVLXSA-N

(Q105163036)

[(1S,5S,6S,8R)-8-acetyloxy-5-[(1S,3S)-1-acetyloxy-3-hydroxy-3-methylpent-4-enyl]-1,5,6-trimethyl-2-oxo-4,6,7,8-tetrahydro-3H-naphthalen-1-yl]methyl acetate

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