(Q105180672)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8-(acetyloxy)-5-[2-(furan-3-yl)-2-hydroxyethyl]-5-(hydroxymethyl)-6-methyl-hexahydro-2H-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate

1 reference

based on heuristic

inferred from SMILES

(1R,4aR,5R,6R,8S,8aR)-8-(acetyloxy)-5-[2-(furan-3-yl)-2-hydroxyethyl]-5-(hydroxymethyl)-6-methyl-hexahydro-2H-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

450.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄O₈

0 references

canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C(CO)(CC(O)C3=COC=C3)C2CCCC41OC4)C

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isomeric SMILES

CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](CO)(C[C@H](O)c3ccoc3)[C@H]1CCC[C@]21CO1

0 references

found in taxon

Teucrium creticum

2 references

stated in

Teucretol, a neo-clerodane diterpenoid from Teucrium creticum

stated in

Teucretol, a neo-clerodane diterpenoid from Teucrium creticum

Identifiers

InChI

InChI=1S/C24H34O8/c1-15-9-21(32-17(3)27)24(14-30-16(2)26)20(5-4-7-23(24)13-31-23)22(15,12-25)10-19(28)18-6-8-29-11-18/h6,8,11,15,19-21,25,28H,4-5,7,9-10,12-14H2,1-3H3/t15-,19+,20-,21+,22-,23+,24+/m1/s1

0 references

InChIKey

NKNQXXHLGLAINH-HKXOKMACSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NKNQXXHLGLAINH-HKXOKMACSA-N

(Q105180672)

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

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Identifiers

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