(Q105225832)

English

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

type of chemical entity

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subclass of

[3-acetyloxy-8-[2-(furan-3-yl)-2-hydroxyethyl]-5-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

chemical formula

C₂₄H₃₄O₈

0 references

canonical SMILES

O=C(OCC12C(O)CC(C)C(C)(CC(O)C3=COC=C3)C2CCC(OC(=O)C)C41OC4)C

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isomeric SMILES

CC(=O)OC[C@]12[C@H](O)C[C@H](C)[C@](C)(C[C@H](O)c3ccoc3)[C@H]1CC[C@H](OC(C)=O)[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/c1-14-9-20(28)23(12-30-15(2)25)19(5-6-21(32-16(3)26)24(23)13-31-24)22(14,4)10-18(27)17-7-8-29-11-17/h7-8,11,14,18-21,27-28H,5-6,9-10,12-13H2,1-4H3/t14-,18-,19+,20+,21-,22-,23+,24+/m0/s1

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InChIKey

QQHNDUBTSHFABA-VMAGHMGESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QQHNDUBTSHFABA-VMAGHMGESA-N

(Q105225832)

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

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