(Q105176518)

English

[(1S,2R,3aR,4R,5R,6E,12E,13aS)-3a,4-diacetyloxy-2,5,8,8,12-pentamethyl-9,11-dioxo-1,2,3,4,5,13a-hexahydrocyclopenta[12]annulen-1-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

(3a,4-Diacetyloxy-2,5,8,8,12-pentamethyl-9,11-dioxo-1,2,3,4,5,13a-hexahydrocyclopenta[12]annulen-1-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

538.256668176 dalton

1 reference

1 reference

[(1S,2R,3aR,4R,5S,6E,12E,13aS)-3a,4-diacetyloxy-2,5,8,8,12-pentamethyl-9,11-dioxo-1,2,3,4,5,13a-hexahydrocyclopenta[12]annulen-1-yl] benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₈O₈

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canonical SMILES

O=C(OC1C2C=C(C(=O)CC(=O)C(C=CC(C)C(OC(=O)C)C2(OC(=O)C)CC1C)(C)C)C)C=3C=CC=CC3

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isomeric SMILES

CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O

0 references

found in taxon

Euphorbia helioscopia

1 reference

stated in

Diterpenes from Euphorbia helioscopia

Identifiers

InChI

InChI=1S/C31H38O8/c1-18-13-14-30(6,7)26(35)16-25(34)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,39-22(5)33)28(18)37-21(4)32/h8-15,18,20,24,27-28H,16-17H2,1-7H3/b14-13+,19-15+/t18-,20-,24+,27+,28-,31-/m1/s1

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InChIKey

NASWNOUOFKORGJ-HUVHYQTMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NASWNOUOFKORGJ-HUVHYQTMSA-N

(Q105176518)

[(1S,2R,3aR,4R,5R,6E,12E,13aS)-3a,4-diacetyloxy-2,5,8,8,12-pentamethyl-9,11-dioxo-1,2,3,4,5,13a-hexahydrocyclopenta[12]annulen-1-yl] benzoate

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Identifiers

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