(Q105309643)

English

methyl (1aR,3aS,4R,5R,5'S,7S,7aS,7bS)-7-acetyloxy-5'-(furan-3-yl)-5,7a-dimethyl-2'-oxospiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-7b-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 7-acetyloxy-5'-(furan-3-yl)-5,7a-dimethyl-2'-oxospiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-7b-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

432.178417856 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₈O₈

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canonical SMILES

O=C(OC1CC(C)C2(C(=O)OC(C3=COC=C3)C2)C4CCC5OC5(C(=O)OC)C14C)C

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isomeric SMILES

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

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found in taxon

Croton lechleri

1 reference

stated in

Clerodane diterpenoids from Croton lechleri

Identifiers

InChI

InChI=1S/C23H28O8/c1-12-9-18(29-13(2)24)21(3)16(5-6-17-23(21,31-17)20(26)27-4)22(12)10-15(30-19(22)25)14-7-8-28-11-14/h7-8,11-12,15-18H,5-6,9-10H2,1-4H3/t12-,15+,16+,17-,18+,21+,22-,23+/m1/s1

0 references

InChIKey

WOQMXORMRSBKNO-LFENPUTESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WOQMXORMRSBKNO-LFENPUTESA-N

1 reference

(Q105309643)

methyl (1aR,3aS,4R,5R,5'S,7S,7aS,7bS)-7-acetyloxy-5'-(furan-3-yl)-5,7a-dimethyl-2'-oxospiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-7b-carboxylate

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