(Q105146814)

English

[(1R,2E,4S,5S,7R,8S,9R,10E,13S,14S,15R)-7,8,14-triacetyloxy-13-hydroxy-1,5,9,12,12-pentamethyl-15-[(E)-2-methylbut-2-enoyl]oxy-16-oxatricyclo[11.2.1.03,7]hexadeca-2,10-dien-4-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[7,8,14-Triacetyloxy-13-hydroxy-1,5,9,12,12-pentamethyl-15-(2-methylbut-2-enoyloxy)-16-oxatricyclo[11.2.1.03,7]hexadeca-2,10-dien-4-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

696.314576976 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2E,4R,5S,7S,8R,9S,10E,13S,14R,15S)-7,8,14-triacetyloxy-13-hydroxy-1,5,9,12,12-pentamethyl-15-[(E)-2-methylbut-2-enoyl]oxy-16-oxatricyclo[11.2.1.03,7]hexadeca-2,10-dien-4-yl] benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₈O₁₂

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canonical SMILES

O=C(OC1C2=CC3(OC(O)(C(OC(=O)C)C3OC(=O)C(=CC)C)C(C=CC(C)C(OC(=O)C)C2(OC(=O)C)CC1C)(C)C)C)C=4C=CC=CC4

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(O)O[C@]1(C)/C=C1\[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@H](C)/C=C/C2(C)C

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found in taxon

Euphorbia serrula

1 reference

stated in

Serrulatin A and B, New Diterpene Polyesters from Euphorbia serrulata

Euphorbia bifida

1 reference

stated in

Serrulatin A and B, New Diterpene Polyesters from Euphorbia serrulata

Euphorbia hyssopifolia

1 reference

stated in

Serrulatin A and B, New Diterpene Polyesters from Euphorbia serrulata

Euphorbia serrulata

1 reference

stated in

Serrulatin A and B, New Diterpene Polyesters from Euphorbia serrulata

Euphorbia stricta

1 reference

stated in

Serrulatin A and B, New Diterpene Polyesters from Euphorbia serrulata

Identifiers

InChI

InChI=1S/C38H48O12/c1-11-21(2)33(42)48-31-32(46-25(6)40)38(44)35(8,9)18-17-22(3)30(45-24(5)39)37(49-26(7)41)19-23(4)29(28(37)20-36(31,10)50-38)47-34(43)27-15-13-12-14-16-27/h11-18,20,22-23,29-32,44H,19H2,1-10H3/b18-17+,21-11+,28-20+/t22-,23+,29+,30+,31-,32+,36-,37-,38-/m1/s1

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InChIKey

KVZGUGJXCMNABM-TXPQKBHKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105146814)

[(1R,2E,4S,5S,7R,8S,9R,10E,13S,14S,15R)-7,8,14-triacetyloxy-13-hydroxy-1,5,9,12,12-pentamethyl-15-[(E)-2-methylbut-2-enoyl]oxy-16-oxatricyclo[11.2.1.03,7]hexadeca-2,10-dien-4-yl] benzoate

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Identifiers

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