(Q105382628)

English

[(1S,4R,4aR,5S,7R,8S,8aR)-8-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[8-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

534.282882924 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂O₉

0 references

canonical SMILES

O=C(OC1CCC2(OC2)C3(COC(=O)C)C(OC(=O)C)CC(C)C(C)(C4OC5OCCC5C4)C13)C(=CC)C

0 references

isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@@H]12

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found in taxon

Ajuga genevensis

1 reference

stated in

Neo-clerodane diterpenoids from Ajuga genevensis

Identifiers

InChI

InChI=1S/C29H42O9/c1-7-16(2)25(32)37-21-8-10-28(14-35-28)29(15-34-18(4)30)23(36-19(5)31)12-17(3)27(6,24(21)29)22-13-20-9-11-33-26(20)38-22/h7,17,20-24,26H,8-15H2,1-6H3/b16-7+/t17-,20-,21+,22+,23+,24-,26+,27-,28+,29-/m1/s1

0 references

InChIKey

ZSPQDLAOARZDJB-QFUBDNJTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZSPQDLAOARZDJB-QFUBDNJTSA-N

(Q105382628)

[(1S,4R,4aR,5S,7R,8S,8aR)-8-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate

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Identifiers

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