(Q105123136)

English

[(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,3a,5-triacetyloxy-9-hydroxy-9a-(hydroxymethyl)-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] butanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[1,3a,5-Triacetyloxy-9-hydroxy-9a-(hydroxymethyl)-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] butanoate

1 reference

based on heuristic

inferred from SMILES

mass

578.272712164 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂O₁₁

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canonical SMILES

O=C(OC1C(C)CC2(OC(=O)C)C(=O)C(OC(=O)C)(C)C3C(C=CC(O)C3(CO)C(OC(=O)CCC)C12)C(=C)C)C

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isomeric SMILES

C=C(C)[C@H]1C=C[C@@H](O)[C@@]2(CO)[C@H](OC(=O)CCC)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(OC(C)=O)C(=O)[C@@](C)(OC(C)=O)[C@H]12

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found in taxon

Euphorbia decipiens

1 reference

stated in

Three tricyclic diterpenoids from Euphorbia decipiens

Euphorbia polycaulis

1 reference

stated in

Three tricyclic diterpenoids from Euphorbia decipiens

Identifiers

InChI

InChI=1S/C30H42O11/c1-9-10-22(36)39-26-23-24(38-17(5)32)16(4)13-30(23,41-19(7)34)27(37)28(8,40-18(6)33)25-20(15(2)3)11-12-21(35)29(25,26)14-31/h11-12,16,20-21,23-26,31,35H,2,9-10,13-14H2,1,3-8H3/t16-,20+,21+,23+,24-,25-,26+,28-,29+,30+/m0/s1

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InChIKey

IZDXXILCPHEHGG-CHILZOPTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IZDXXILCPHEHGG-CHILZOPTSA-N

(Q105123136)

[(1S,2S,3aR,5S,5aR,6S,9R,9aR,10R,10aR)-1,3a,5-triacetyloxy-9-hydroxy-9a-(hydroxymethyl)-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-10-yl] butanoate

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