(Q105234003)

English

(3R,5S,2'R,5'R,8a'beta)-5-(3-Furyl)-2'alpha-methyl-4'alpha,6'beta-diacetoxy-4'aalpha-(acetoxymethyl)-4,5-dihydrodispiro[furan-3(2H),1'-decalin-5',2''-oxirane]-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

504.199547224 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,5alpha,8alpha,9R,10beta,12R)-3beta,6alpha,18-Triacetoxy-12-hydroxy-4alpha,19:15,16-bisepoxycleroda-13(16),14-diene-20-oic acid lactone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₂O₁₀

0 references

canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C3(C(=O)OC(C4=COC=C4)C3)C2CCC(OC(=O)C)C51OC5)C

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isomeric SMILES

CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CC[C@H](OC(C)=O)[C@]21CO1

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found in taxon

Teucrium pyrenaicum

1 reference

stated in

Diterpenoids from Teucrium scorodonia, three neo-clerodane derivatives

Identifiers

InChI

InChI=1S/C26H32O10/c1-14-9-22(35-17(4)29)25(12-32-15(2)27)20(5-6-21(34-16(3)28)26(25)13-33-26)24(14)10-19(36-23(24)30)18-7-8-31-11-18/h7-8,11,14,19-22H,5-6,9-10,12-13H2,1-4H3/t14-,19+,20-,21+,22+,24-,25+,26-/m1/s1

0 references

InChIKey

RCVVNRBNRKRZGL-IUIARGKJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RCVVNRBNRKRZGL-IUIARGKJSA-N

1 reference

(Q105234003)

(3R,5S,2'R,5'R,8a'beta)-5-(3-Furyl)-2'alpha-methyl-4'alpha,6'beta-diacetoxy-4'aalpha-(acetoxymethyl)-4,5-dihydrodispiro[furan-3(2H),1'-decalin-5',2''-oxirane]-2-one

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Identifiers

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