(Q105113048)

English

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

chemical compound

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type of chemical entity

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1 reference

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

1 reference

based on heuristic

inferred from SMILES

mass

450.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₄O₈

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

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found in taxon

Teucrium oliverianum

1 reference

stated in

neo-Clerodane diterpenoids from Teucrium oliverianum and structure revision of teucrolin E.

Identifiers

InChI

InChI=1S/C24H34O8/c1-14-20(28)21(32-16(3)26)24(13-30-15(2)25)19(6-5-8-23(24)12-31-23)22(14,4)10-18(27)17-7-9-29-11-17/h7,9,11,14,18-21,27-28H,5-6,8,10,12-13H2,1-4H3/t14-,18+,19-,20-,21+,22-,23+,24+/m1/s1

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InChIKey

IHHPFEMYUJZPAU-HHJRMLSVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IHHPFEMYUJZPAU-HHJRMLSVSA-N

(Q105113048)

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

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