(Q105244906)

English

[(1R,2R,6R,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] hexanoate

chemical compound

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Statements

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] hexanoate

1 reference

based on heuristic

inferred from SMILES

mass

504.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₈

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canonical SMILES

O=C(OC12C(OC(=O)CCCCC)C(C)C3(O)C4C=C(C(=O)C4CC(=CC3C1C2(C)CO)CO)C)C

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isomeric SMILES

CCCCCC(=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/C28H40O8/c1-6-7-8-9-22(32)35-25-16(3)27(34)20-10-15(2)23(33)19(20)11-18(13-29)12-21(27)24-26(5,14-30)28(24,25)36-17(4)31/h10,12,16,19-21,24-25,29-30,34H,6-9,11,13-14H2,1-5H3/t16-,19-,20-,21-,24-,25-,26-,27+,28-/m1/s1

0 references

InChIKey

RSVJBSFOPQIRFA-GSSWDSILSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RSVJBSFOPQIRFA-GSSWDSILSA-N

(Q105244906)

[(1R,2R,6R,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] hexanoate

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Identifiers

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