(Q105158095)

English

[(1R,3E,5R,7S,9R,10E,12S,13S,14R)-1-acetyloxy-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-9-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] (2E,4Z)-octa-2,4-dienoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-(acetyloxy)-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,10-dien-9-yl (2E)-octa-2,4-dienoate

1 reference

1 reference

498.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂O₆

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canonical SMILES

O=C(OC1C(=CC2C(O)C(C)CC2(OC(=O)C)C(=O)C(=CC3C(C1)C3(C)C)C)C)C=CC=CCCC

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isomeric SMILES

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

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found in taxon

Euphorbia helioscopia

3 references

stated in

Chemical studies on the constituents of the chinese medicinal herb Euphorbia helioscopia L.

stated in

Jatrophane diterpenes from Euphorbia spp. as modulators of multidrug resistance in cancer therapy

stated in

Diterpenes from Euphorbia helioscopia

Identifiers

InChI

InChI=1S/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10-,13-12+,18-14+,19-15+/t20-,22-,23+,24+,25-,27+,30-/m1/s1

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InChIKey

LVWCGFQTAFKQBI-DWBQKEMDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LVWCGFQTAFKQBI-DWBQKEMDSA-N

1 reference

(Q105158095)

[(1R,3E,5R,7S,9R,10E,12S,13S,14R)-1-acetyloxy-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-9-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] (2E,4Z)-octa-2,4-dienoate

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Identifiers

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