(Q104986999)

English

methyl (E)-4-[(1S,2S,4aS,6S,8aS)-6-hydroxy-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]-2-[(2R)-oxiran-2-yl]but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 4-{6-hydroxy-5,5,8a-trimethyl-hexahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl}-2-(oxiran-2-yl)but-2-enoate

1 reference

1 reference

364.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (E)-4-[(1R,2S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]-2-[(2R)-oxiran-2-yl]but-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (E)-4-[(1R,2S,4aR,6S,8aS)-6-hydroxy-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]-2-[(2R)-oxiran-2-yl]but-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₅

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canonical SMILES

O=C(OC)C(=CCC1C2(OC2)CCC3C(C)(C)C(O)CCC13C)C4OC4

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isomeric SMILES

COC(=O)/C(=C/C[C@@H]1[C@@]2(CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]31C)CO2)[C@@H]1CO1

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found in taxon

Aframomum aulacocarpos

1 reference

stated in

Five labdane diterpenoids from the seeds of Aframomum zambesiacum.

Aframomum zambesiacum

1 reference

stated in

Five labdane diterpenoids from the seeds of Aframomum zambesiacum.

Aframomum exscapum

1 reference

stated in

Five labdane diterpenoids from the seeds of Aframomum zambesiacum.

Identifiers

InChI

InChI=1S/C21H32O5/c1-19(2)15-7-10-21(12-26-21)16(20(15,3)9-8-17(19)22)6-5-13(14-11-25-14)18(23)24-4/h5,14-17,22H,6-12H2,1-4H3/b13-5+/t14-,15+,16-,17-,20-,21+/m0/s1

0 references

InChIKey

DQKIVJKTAXWJRV-LKCHLQKSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQKIVJKTAXWJRV-LKCHLQKSSA-N

(Q104986999)

methyl (E)-4-[(1S,2S,4aS,6S,8aS)-6-hydroxy-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]-2-[(2R)-oxiran-2-yl]but-2-enoate

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Identifiers

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