(Q105112956)

English

[(1S,3R,3aR,5S,6aS,7R,8R,10aR)-1,3-diacetyloxy-7,8-dimethyl-7-[(2Z)-3-methylpenta-2,4-dienyl]-10-oxo-3,3a,4,5,6,6a,8,9-octahydro-1H-benzo[d][2]benzofuran-5-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[1,3-diacetyloxy-7,8-dimethyl-7-(3-methylpenta-2,4-dienyl)-10-oxo-3,3a,4,5,6,6a,8,9-octahydro-1H-benzo[d][2]benzofuran-5-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

476.241018112 dalton

1 reference

1 reference

1 reference

[(1S,3R,3aR,5S,6aS,7R,8R,10aR)-1,3-diacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-10-oxo-3,3a,4,5,6,6a,8,9-octahydro-1H-benzo[d][2]benzofuran-5-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₆O₈

0 references

canonical SMILES

O=C(OC1OC(OC(=O)C)C23C(=O)CC(C)C(C)(CC=C(C=C)C)C3CC(OC(=O)C)CC12)C

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isomeric SMILES

C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)C[C@H]3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]23C(=O)C[C@H]1C

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found in taxon

Casearia guianensis

1 reference

stated in

Four new clerodane diterpenes from the leaves of Casearia guianensis which inhibit the interaction of leukocyte function antigen 1 with intercellular adhesion molecule 1

Identifiers

InChI

InChI=1S/C26H36O8/c1-8-14(2)9-10-25(7)15(3)11-22(30)26-20(12-19(13-21(25)26)31-16(4)27)23(32-17(5)28)34-24(26)33-18(6)29/h8-9,15,19-21,23-24H,1,10-13H2,2-7H3/b14-9-/t15-,19-,20+,21+,23+,24-,25-,26-/m1/s1

0 references

InChIKey

IHEGPSNNXNVYDQ-XAPARKIWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IHEGPSNNXNVYDQ-XAPARKIWSA-N

(Q105112956)

[(1S,3R,3aR,5S,6aS,7R,8R,10aR)-1,3-diacetyloxy-7,8-dimethyl-7-[(2Z)-3-methylpenta-2,4-dienyl]-10-oxo-3,3a,4,5,6,6a,8,9-octahydro-1H-benzo[d][2]benzofuran-5-yl] acetate

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