(Q105325683)

English

[(1S,3R,4S,4aR,7S,8R,8aR)-4-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-7-hydroxy-8a-(hydroxymethyl)-3,4-dimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[4-[2-(furan-3-yl)-2-hydroxyethyl]-7-hydroxy-8a-(hydroxymethyl)-3,4-dimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

408.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3R,4S,4aR,7S,8R,8aR)-4-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-7-hydroxy-8a-(hydroxymethyl)-3,4-dimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₇

0 references

canonical SMILES

O=C(OC1CC(C)C(C)(CC(O)C2=COC=C2)C3CCC(O)C4(OC4)C13CO)C

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@@H](C)[C@](C)(C[C@@H](O)c2ccoc2)[C@H]2CC[C@H](O)[C@]3(CO3)[C@]12CO

0 references

found in taxon

Teucrium pyrenaicum

1 reference

stated in

Neo-clerodane diterpenoids from Teucrium pyrenaicum and T. subspinosum

Identifiers

InChI

InChI=1S/C22H32O7/c1-13-8-19(29-14(2)24)21(11-23)17(4-5-18(26)22(21)12-28-22)20(13,3)9-16(25)15-6-7-27-10-15/h6-7,10,13,16-19,23,25-26H,4-5,8-9,11-12H2,1-3H3/t13-,16-,17-,18+,19+,20+,21+,22-/m1/s1

0 references

InChIKey

XDFUGHPIAIPFJC-UNVUUVOTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105325683)

[(1S,3R,4S,4aR,7S,8R,8aR)-4-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-7-hydroxy-8a-(hydroxymethyl)-3,4-dimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate

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