(Q104967703)

English

[(4aR,5R,5'S,7R,8R,8aS)-4-formyl-5'-(furan-3-yl)-5-hydroxy-7-methyl-2'-oxospiro[1,2,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-formyl-5'-(furan-3-yl)-4-hydroxy-2-methyl-2'-oxo-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

402.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₇

0 references

canonical SMILES

O=CC1=CCCC2C1(COC(=O)C)C(O)CC(C)C32C(=O)OC(C4=COC=C4)C3

0 references

isomeric SMILES

CC(=O)OC[C@]12C(C=O)=CCC[C@@H]1[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)C[C@H]2O

0 references

found in taxon

Teucrium scorodonia

2 references

stated in

Ent-clerodane diterpenoids from six further species of Teucrium

stated in

Diterpenoids from Teucrium scorodonia, three neo-clerodane derivatives

Identifiers

InChI

InChI=1S/C22H26O7/c1-13-8-19(25)22(12-28-14(2)24)16(10-23)4-3-5-18(22)21(13)9-17(29-20(21)26)15-6-7-27-11-15/h4,6-7,10-11,13,17-19,25H,3,5,8-9,12H2,1-2H3/t13-,17+,18-,19-,21-,22+/m1/s1

0 references

InChIKey

CPQULMSRWKUEBX-NGVMEMQTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CPQULMSRWKUEBX-NGVMEMQTSA-N

(Q104967703)

[(4aR,5R,5'S,7R,8R,8aS)-4-formyl-5'-(furan-3-yl)-5-hydroxy-7-methyl-2'-oxospiro[1,2,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate

Statements

Identifiers

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