(Q105147785)

English

[(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(2-methoxy-2-oxoethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (Z)-octadec-9-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[1,6-Dihydroxy-8-(2-methoxy-2-oxoethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] octadec-9-enoate

1 reference

based on heuristic

inferred from SMILES

mass

654.449554324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₂O₇

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canonical SMILES

O=C(OC)CC1=CC2C3C(OC(=O)CCCCCCCC=CCCCCCCCC)(CC(C)C2(O)C4C=C(C(=O)C4(O)C1)C)C3(C)C

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isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CC(=O)OC)C[C@]4(O)C(=O)C(C)=C[C@H]43)[C@@H]1C2(C)C

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found in taxon

Euphorbia fischeriana

1 reference

stated in

Diterpenoids from the roots of Euphorbia fischeriana

Euphorbia fischeri

1 reference

stated in

Diterpenoids from the roots of Euphorbia fischeriana

Identifiers

InChI

InChI=1S/C40H62O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(41)47-39-26-29(3)40(45)31(35(39)37(39,4)5)24-30(25-34(42)46-6)27-38(44)32(40)23-28(2)36(38)43/h14-15,23-24,29,31-32,35,44-45H,7-13,16-22,25-27H2,1-6H3/b15-14-/t29-,31+,32-,35-,38-,39+,40-/m1/s1

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InChIKey

KYMNAVPTWOFTNE-GZYJPMFPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KYMNAVPTWOFTNE-GZYJPMFPSA-N

(Q105147785)

[(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(2-methoxy-2-oxoethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (Z)-octadec-9-enoate

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