(Q104969366)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[14-Acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate

1 reference

based on heuristic

inferred from SMILES

mass

560.334918496 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Phorbol acetate, caprate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₈O₈

0 references

canonical SMILES

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

0 references

isomeric SMILES

CCCCCCCCCC(=O)O[C@]12[C@@H]([C@H]3C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]4[C@@]3(O)[C@H](C)[C@H]1OC(C)=O)C2(C)C

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/C32H48O8/c1-7-8-9-10-11-12-13-14-25(35)40-32-26(29(32,5)6)23-16-22(18-33)17-30(37)24(15-19(2)27(30)36)31(23,38)20(3)28(32)39-21(4)34/h15-16,20,23-24,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,23-,24+,26+,28-,30-,31-,32-/m1/s1

0 references

InChIKey

CSJWNHJJHIAAIG-KXHDGYSISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CSJWNHJJHIAAIG-KXHDGYSISA-N

(Q104969366)

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

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