(Q104935160)

English

[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

630.304012292 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-[(Z)-2-methylbut-2-enoyl]oxy-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₄H₄₆O₁₁

0 references

canonical SMILES

O=C1OCC(=C1)C(OC(=O)C(=CC)C)CC2(C)C(C)CC(OC(=O)C)C3(COC(=O)C)C2C(OC(=O)C(=CC)C)CCC43OC4

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isomeric SMILES

CC=C(C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@H](OC(=O)/C(C)=C\C)CC[C@]21CO1)C1=CC(=O)OC1

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found in taxon

Ajuga decumbens

1 reference

stated in

Cancer chemopreventive agents (antitumor-promoters) from Ajuga decumbens

Identifiers

InChI

InChI=1S/C34H46O11/c1-9-19(3)30(38)44-25-11-12-33(17-42-33)34(18-41-22(6)35)27(43-23(7)36)13-21(5)32(8,29(25)34)15-26(24-14-28(37)40-16-24)45-31(39)20(4)10-2/h9-10,14,21,25-27,29H,11-13,15-18H2,1-8H3/b19-9-,20-10?/t21-,25-,26+,27+,29-,32+,33+,34-/m1/s1

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InChIKey

BGAZAIQJEALJJF-XYJDNINDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104935160)

[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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