(Q105386578)

English

(8R,9R,10beta,12R)-3alpha,4alpha:15,16-Diepoxy-6beta-[[(Z)-2-methyl-2-butenoyl]oxy]-12-hydroxyclerodane-13(16),14-diene-20-oic acid 20,12-lactone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[5'-(furan-3-yl)-5,7a,7b-trimethyl-2'-oxospiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-7-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

428.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₆

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canonical SMILES

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

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@]2(C[C@H](c3ccoc3)OC2=O)[C@H]2CC[C@H]3O[C@@]3(C)[C@]21C

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found in taxon

Microglossa pyrrhopappa

1 reference

stated in

Clerodane diterpenoids from Microglossa angolensis

Identifiers

InChI

InChI=1S/C25H32O6/c1-6-14(2)21(26)30-20-11-15(3)25(12-17(29-22(25)27)16-9-10-28-13-16)18-7-8-19-24(5,31-19)23(18,20)4/h6,9-10,13,15,17-20H,7-8,11-12H2,1-5H3/b14-6-/t15-,17-,18+,19-,20-,23-,24-,25-/m1/s1

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InChIKey

ZYYZPLNIGCEJBE-XABRHQLWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZYYZPLNIGCEJBE-XABRHQLWSA-N

1 reference

(Q105386578)

(8R,9R,10beta,12R)-3alpha,4alpha:15,16-Diepoxy-6beta-[[(Z)-2-methyl-2-butenoyl]oxy]-12-hydroxyclerodane-13(16),14-diene-20-oic acid 20,12-lactone

Statements

Identifiers

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