(Q105171558)

English

(3aS,5aS,6S,7S,9aS,9bR)-9b-[2-(furan-3-yl)-2-oxoethyl]-6,7-dihydroxy-5a,6-dimethyl-1,3a,4,5,7,8,9,9a-octahydrobenzo[e][2]benzofuran-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

9b-[2-(Furan-3-yl)-2-oxoethyl]-6,7-dihydroxy-5a,6-dimethyl-1,3a,4,5,7,8,9,9a-octahydrobenzo[e][2]benzofuran-3-one

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₆

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canonical SMILES

O=C1OCC2(CC(=O)C3=COC=C3)C1CCC4(C)C2CCC(O)C4(O)C

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isomeric SMILES

C[C@@]1(O)[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(=O)OC[C@@]12CC(=O)c1ccoc1

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found in taxon

Croton insularis

1 reference

stated in

Chemical Constituents fromCroton insularis

Identifiers

InChI

InChI=1S/C20H26O6/c1-18-7-5-13-17(23)26-11-20(13,9-14(21)12-6-8-25-10-12)15(18)3-4-16(22)19(18,2)24/h6,8,10,13,15-16,22,24H,3-5,7,9,11H2,1-2H3/t13-,15-,16+,18+,19-,20+/m1/s1

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InChIKey

MTADPZAIZBIGSZ-GKBWTKQCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MTADPZAIZBIGSZ-GKBWTKQCSA-N

(Q105171558)

(3aS,5aS,6S,7S,9aS,9bR)-9b-[2-(furan-3-yl)-2-oxoethyl]-6,7-dihydroxy-5a,6-dimethyl-1,3a,4,5,7,8,9,9a-octahydrobenzo[e][2]benzofuran-3-one

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