(Q105221344)

English

[(1S,5S,6S,8R)-8-acetyloxy-5-[(1S,3R)-1,3-dihydroxy-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

0 references

subclass of

[8-acetyloxy-5-(1,3-dihydroxy-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

436.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₆O₇

0 references

canonical SMILES

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

0 references

isomeric SMILES

C=C[C@](C)(O)C[C@H](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/C24H36O7/c1-8-22(5,29)12-20(28)24(7)14(2)11-18(31-16(4)26)21-17(24)9-10-19(27)23(21,6)13-30-15(3)25/h8,14,18,20,28-29H,1,9-13H2,2-7H3/t14-,18+,20-,22-,23-,24-/m0/s1

0 references

InChIKey

QIFOGQJGAIFKAU-NZDAKWCRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QIFOGQJGAIFKAU-NZDAKWCRSA-N

(Q105221344)

[(1S,5S,6S,8R)-8-acetyloxy-5-[(1S,3R)-1,3-dihydroxy-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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Identifiers

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