(Q105156511)

English

[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5S,6R,8aS)-5-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-[5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

498.282882924 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₂O₉

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2=CCCC3C2(C)CCC(C)C3(C)CCC(=CCO)CO

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isomeric SMILES

C[C@@H]1CC[C@]2(C)C(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=CCC[C@@H]2[C@@]1(C)CC/C(=C/CO)CO

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found in taxon

Baccharis sagittalis

1 reference

stated in

Clerodane diterpenes from Baccharis sagittalis: insect antifeedant activity

Identifiers

InChI

InChI=1S/C26H42O9/c1-15-7-10-26(3)17(23(33)35-24-22(32)21(31)20(30)18(14-29)34-24)5-4-6-19(26)25(15,2)11-8-16(13-28)9-12-27/h5,9,15,18-22,24,27-32H,4,6-8,10-14H2,1-3H3/b16-9-/t15-,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1

0 references

InChIKey

LSHAKRWABGHINZ-VQKOECTHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105156511)

[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5S,6R,8aS)-5-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate

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