(Q110187018)

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Crotinsularin

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(furan-3-yl)-1',6',8'a-trimethylspiro[2H-furan-3,5'-3,4,4a,6,7,8-hexahydro-2H-naphthalene]-1',2'-diol

1 reference

based on heuristic

inferred from SMILES

mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1'R,2'R,3S,4'aR,6'R,8'aR)-5-(furan-3-yl)-1',6',8'a-trimethylspiro[2H-furan-3,5'-3,4,4a,6,7,8-hexahydro-2H-naphthalene]-1',2'-diol

1 reference

based on heuristic

inferred from InChI

(1'R,2'R,3R,4'aS,6'R,8'aR)-5-(furan-3-yl)-1',6',8'a-trimethylspiro[2H-furan-3,5'-3,4,4a,6,7,8-hexahydro-2H-naphthalene]-1',2'-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₄

0 references

canonical SMILES

OC1CCC2C3(C=C(OC3)C4=COC=C4)C(C)CCC2(C)C1(O)C

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isomeric SMILES

C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]12C=C(c1ccoc1)OC2

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found in taxon

Croton insularis

1 reference

stated in

New diterpenes from Croton insularis

Identifiers

InChI

InChI=1S/C20H28O4/c1-13-6-8-18(2)16(4-5-17(21)19(18,3)22)20(13)10-15(24-12-20)14-7-9-23-11-14/h7,9-11,13,16-17,21-22H,4-6,8,12H2,1-3H3/t13-,16+,17-,18-,19+,20-/m1/s1

0 references

InChIKey

ZHETXDMTDBQVIV-JPXWGHGXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZHETXDMTDBQVIV-JPXWGHGXSA-N

1 reference

(Q110187018)

Crotinsularin

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Identifiers

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