(Q105118553)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

506.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈O₉

0 references

canonical SMILES

O=C(OC1C(=CC23OC3(C(=O)C(C)C(OC(=O)C)C4C(C1OC)C4(C)C)CC(C)C2OC(=O)C)C)C

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isomeric SMILES

CO[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(C)=O)O4)C2(C)C

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found in taxon

Euphorbia tirucalli

1 reference

stated in

Tirucaline — A New Macrocyclic Diterpene from Euphorbia tirucalli

Identifiers

InChI

InChI=1S/C27H38O9/c1-12-10-27-24(35-17(6)30)13(2)11-26(27,36-27)23(31)14(3)21(34-16(5)29)18-19(25(18,7)8)22(32-9)20(12)33-15(4)28/h10,13-14,18-22,24H,11H2,1-9H3/b12-10+/t13-,14-,18-,19+,20+,21-,22+,24-,26-,27-/m0/s1

0 references

InChIKey

IQSSOGCQSIOEQN-BIUOLLPLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IQSSOGCQSIOEQN-BIUOLLPLSA-N

(Q105118553)

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

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Identifiers

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