(Q104913608)

English

[(1S,2R,6R,10R,11S,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2R)-2-methylbutanoate

chemical compound

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subclass of

[(1S,6R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

[1,6-Dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-(2-methylbut-2-enoyloxy)-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

530.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2R)-2-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₂O₈

0 references

canonical SMILES

O=C(OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(=CC32)C)C4C1(OC(=O)C(C)CC)C4(C)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@H]23)[C@H]2C(C)(C)[C@@]21OC(=O)[C@H](C)CC

0 references

found in taxon

Croton tiglium

1 reference

stated in

Anti-HIV-1 phorbol esters from the seeds of Croton tiglium

Identifiers

InChI

InChI=1S/C30H42O8/c1-9-15(3)25(33)37-24-18(6)29(36)20(22-27(7,8)30(22,24)38-26(34)16(4)10-2)12-19(14-31)13-28(35)21(29)11-17(5)23(28)32/h9,11-12,16,18,20-22,24,31,35-36H,10,13-14H2,1-8H3/b15-9+/t16-,18-,20-,21+,22+,24-,28-,29-,30-/m1/s1

0 references

InChIKey

AKFIXMYXISUTAF-UUBRBUIZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AKFIXMYXISUTAF-UUBRBUIZSA-N

(Q104913608)

[(1S,2R,6R,10R,11S,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2R)-2-methylbutanoate

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