(Q105178573)

English

[(1aR,3aR,4R,5R,5'R,7R,7aS,7bS)-5'-(furan-3-yl)-3a-hydroxy-5,7a,7b-trimethyl-2'-oxospiro[1a,2,3,5,6,7-hexahydronaphtho[1,2-b]oxirene-4,3'-oxolane]-7-yl] (2R)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5'-(furan-3-yl)-3a-hydroxy-5,7a,7b-trimethyl-2'-oxo-hexahydrospiro[naphtho[1,2-b]oxirene-4,3'-oxolan]-7-yl 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

446.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₇

0 references

canonical SMILES

O=C(OC1CC(C)C2(C(=O)OC(C3=COC=C3)C2)C4(O)CCC5OC5(C)C14C)C(C)CC

0 references

isomeric SMILES

CC[C@@H](C)C(=O)O[C@@H]1C[C@@H](C)[C@]2(C[C@H](c3ccoc3)OC2=O)[C@@]2(O)CC[C@H]3O[C@@]3(C)[C@@]12C

0 references

found in taxon

Microglossa pyrrhopappa

2 references

stated in

Diterpenes and sesquiterpene xylosides from east africanConyza species

stated in

Rearranged clerodanes and other diterpenes fromMicroglossa pyrrhopappa

Identifiers

InChI

InChI=1S/C25H34O7/c1-6-14(2)20(26)31-19-11-15(3)24(12-17(30-21(24)27)16-8-10-29-13-16)25(28)9-7-18-23(5,32-18)22(19,25)4/h8,10,13-15,17-19,28H,6-7,9,11-12H2,1-5H3/t14-,15-,17-,18-,19-,22-,23-,24+,25-/m1/s1

0 references

InChIKey

NFNNJFPVLGHNPC-PABGKVSNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NFNNJFPVLGHNPC-PABGKVSNSA-N

(Q105178573)

[(1aR,3aR,4R,5R,5'R,7R,7aS,7bS)-5'-(furan-3-yl)-3a-hydroxy-5,7a,7b-trimethyl-2'-oxospiro[1a,2,3,5,6,7-hexahydronaphtho[1,2-b]oxirene-4,3'-oxolane]-7-yl] (2R)-2-methylbutanoate

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