(Q105210240)

English

[(1R,2R,6S,10R,11R,12S,13S,14R,15R)-13-acetyloxy-1-hydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E)-deca-2,4-dienoate

chemical compound

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instance of

type of chemical entity

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subclass of

[13-Acetyloxy-1-hydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-2,4-dienoate

1 reference

based on heuristic

inferred from SMILES

mass

556.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₄O₈

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canonical SMILES

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

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isomeric SMILES

CCCCC/C=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@@H]2[C@@H]2[C@@](C)(CO)[C@]12OC(C)=O

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found in taxon

Falconeria insignis

1 reference

stated in

Phorbol derivatives from Sapium insigne

Identifiers

InChI

InChI=1S/C32H44O8/c1-6-7-8-9-10-11-12-13-26(36)39-29-20(3)31(38)24-14-19(2)27(37)23(24)15-22(17-33)16-25(31)28-30(5,18-34)32(28,29)40-21(4)35/h10-14,16,20,23-25,28-29,33-34,38H,6-9,15,17-18H2,1-5H3/b11-10+,13-12+/t20-,23+,24-,25-,28-,29-,30-,31+,32-/m1/s1

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InChIKey

PJYZDBMCXHYHRX-DWRYTOQWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PJYZDBMCXHYHRX-DWRYTOQWSA-N

(Q105210240)

[(1R,2R,6S,10R,11R,12S,13S,14R,15R)-13-acetyloxy-1-hydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E)-deca-2,4-dienoate

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