(Q105030181)

English

[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14R)-4,8,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(4,8,13-Triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

562.277797544 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂O₁₀

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canonical SMILES

O=C(OC1C(OC(=O)C(C)C)C(=CC23OC3(C(=O)C(C)C(OC(=O)C)C4C1C4(C)C)CC(C)C2OC(=O)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(=O)C(C)C)O4)C2(C)C

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found in taxon

Euphorbia portulacoides

1 reference

stated in

Diterpenes and phloracetophenones from Euphorbia portulacoides

Identifiers

InChI

InChI=1S/C30H42O10/c1-13(2)27(35)39-22-14(3)11-30-26(38-19(8)33)15(4)12-29(30,40-30)25(34)16(5)23(36-17(6)31)20-21(28(20,9)10)24(22)37-18(7)32/h11,13,15-16,20-24,26H,12H2,1-10H3/b14-11+/t15-,16-,20+,21-,22-,23+,24+,26+,29+,30+/m1/s1

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InChIKey

HLKGXCCBVAIGPJ-BLLMXNJYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HLKGXCCBVAIGPJ-BLLMXNJYSA-N

1 reference

(Q105030181)

[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14R)-4,8,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] 2-methylpropanoate

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Identifiers

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