(Q105235788)

English

[(3S,4R,4aR,5R,6R,7S,8S,8aR)-5-acetyloxy-8-[2-(furan-3-yl)ethyl]-3,6-dihydroxy-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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instance of

type of chemical entity

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subclass of

[5-acetyloxy-8-[2-(furan-3-yl)ethyl]-3,6-dihydroxy-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

[(3S,4R,4aR,5R,6R,7S,8R,8aR)-5-acetyloxy-8-[2-(furan-3-yl)ethyl]-3,6-dihydroxy-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

2 references

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)(CCC3=COC=C3)C2CCC(O)C41OC4)C

0 references

isomeric SMILES

CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@H](O)[C@@H](C)[C@@](C)(CCc3ccoc3)[C@H]1CC[C@H](O)[C@]21CO1

0 references

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)23(12-30-15(2)25)18(5-6-19(27)24(23)13-31-24)22(14,4)9-7-17-8-10-29-11-17/h8,10-11,14,18-21,27-28H,5-7,9,12-13H2,1-4H3/t14-,18-,19+,20-,21+,22-,23+,24-/m1/s1

0 references

InChIKey

RGEIXNHVBDLHCF-DQYPNYGHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105235788)

[(3S,4R,4aR,5R,6R,7S,8S,8aR)-5-acetyloxy-8-[2-(furan-3-yl)ethyl]-3,6-dihydroxy-7,8-dimethylspiro[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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