(Q105028442)

English

(1aR)-1,1aalpha,1bbeta,4,4abeta,7aalpha,7b,8,9,9a-Decahydro-7balpha-hydroxy-3-(hydroxymethyl)-9beta,9aalpha-bis(isobutyryloxy)-1,1,6,8alpha-tetramethyl-5H-cyclopropa[3,4]benzo[1,2-e]azulene-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

[1-Hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

488.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1aR)-1,1aalpha,1bbeta,4,4aalpha,7aalpha,7b,8,9,9a-Decahydro-7balpha-hydroxy-3-(hydroxymethyl)-9beta,9aalpha-bis(isobutyryloxy)-1,1,6,8alpha-tetramethyl-5H-cyclopropa[3,4]benzo[1,2-e]azulene-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₀O₇

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canonical SMILES

O=C(OC1C(C)C2(O)C3C=C(C(=O)C3CC(=CC2C4C1(OC(=O)C(C)C)C4(C)C)CO)C)C(C)C

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isomeric SMILES

CC1=C[C@@H]2[C@H](CC(CO)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](C)[C@@]32O)C1=O

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found in taxon

Euphorbia lamarckii

1 reference

stated in

Jatrophane and tigliane diterpenes from the latex of Euphorbia obtusifolia

Euphorbia terracina

1 reference

stated in

Jatrophane and tigliane diterpenes from the latex of Euphorbia obtusifolia

Identifiers

InChI

InChI=1S/C28H40O7/c1-13(2)24(31)34-23-16(6)27(33)19-9-15(5)21(30)18(19)10-17(12-29)11-20(27)22-26(7,8)28(22,23)35-25(32)14(3)4/h9,11,13-14,16,18-20,22-23,29,33H,10,12H2,1-8H3/t16-,18+,19-,20+,22-,23-,27+,28-/m1/s1

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InChIKey

HHPIZKZZGUIAPH-XLXOLHELSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HHPIZKZZGUIAPH-XLXOLHELSA-N

1 reference

(Q105028442)

(1aR)-1,1aalpha,1bbeta,4,4abeta,7aalpha,7b,8,9,9a-Decahydro-7balpha-hydroxy-3-(hydroxymethyl)-9beta,9aalpha-bis(isobutyryloxy)-1,1,6,8alpha-tetramethyl-5H-cyclopropa[3,4]benzo[1,2-e]azulene-5-one

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