(Q104970723)

English

[(3R,4R,4aR,5S,7R,8S,8aR)-3,5-diacetyloxy-8-[2-(furan-3-yl)-2-oxoethyl]-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

[3,5-diacetyloxy-8-[2-(furan-3-yl)-2-oxoethyl]-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

490.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₄O₉

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canonical SMILES

O=C(OCC12C(OC(=O)C)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](OC(C)=O)C[C@@H](C)[C@](C)(CC(=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/C26H34O9/c1-15-10-23(35-18(4)29)25(13-32-16(2)27)21(6-7-22(34-17(3)28)26(25)14-33-26)24(15,5)11-20(30)19-8-9-31-12-19/h8-9,12,15,21-23H,6-7,10-11,13-14H2,1-5H3/t15-,21-,22-,23+,24+,25+,26-/m1/s1

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InChIKey

CVFXRIQWGFALJL-NZTKXHQXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CVFXRIQWGFALJL-NZTKXHQXSA-N

(Q104970723)

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

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