(Q105144299)

English

[(2'S,4R,4aS,5'S,8S,8aR)-2'-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-4,6-dihydroxy-7-methyl-5-oxospiro[1,2,3,8a-tetrahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

2'-(acetyloxy)-5-(chloromethyl)-5'-(furan-3-yl)-3,5-dihydroxy-2-methyl-4-oxo-6,7,8,8a-tetrahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

496.150010188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2'R,4R,4aS,5'S,8S,8aR)-2'-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-4,6-dihydroxy-7-methyl-5-oxospiro[1,2,3,8a-tetrahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₉ClO₉

0 references

canonical SMILES

O=C(OCC12C(=O)C(O)=C(C)C3(CC(OC3OC(=O)C)C4=COC=C4)C2CCCC1(O)CCl)C

0 references

isomeric SMILES

CC(=O)OC[C@@]12C(=O)C(O)=C(C)[C@]3(C[C@@H](c4ccoc4)O[C@H]3OC(C)=O)[C@H]1CCC[C@]2(O)CCl

0 references

found in taxon

Teucrium polium

1 reference

stated in

A chlorine-containing and two 17β-neo-clerodane diterpenoids from Teucrium polium subsp. Vincentinum

Teucrium vincentinum

1 reference

stated in

A chlorine-containing and two 17β-neo-clerodane diterpenoids from Teucrium polium subsp. Vincentinum

Identifiers

InChI

InChI=1S/C24H29ClO9/c1-13-19(28)20(29)24(12-32-14(2)26)18(5-4-7-22(24,30)11-25)23(13)9-17(16-6-8-31-10-16)34-21(23)33-15(3)27/h6,8,10,17-18,21,28,30H,4-5,7,9,11-12H2,1-3H3/t17-,18+,21+,22-,23+,24-/m0/s1

0 references

InChIKey

KPNUSXYEBKSOIF-SEXQDQJWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KPNUSXYEBKSOIF-SEXQDQJWSA-N

(Q105144299)

[(2'S,4R,4aS,5'S,8S,8aR)-2'-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-4,6-dihydroxy-7-methyl-5-oxospiro[1,2,3,8a-tetrahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate

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Identifiers

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