(Q105126675)

English

[(1S,2S,3aS,5R,6E,9R,10S,11S,12R,13E)-2,3a,9,10,11,12-hexaacetyloxy-2,5,8,8,12-pentamethyl-4-oxo-1,3,5,9,10,11-hexahydrocyclopenta[12]annulen-1-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,3a,9,10,11,12-Hexaacetyloxy-2,5,8,8,12-pentamethyl-4-oxo-1,3,5,9,10,11-hexahydrocyclopenta[12]annulen-1-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

756.299320836 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₄₈O₁₅

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canonical SMILES

O=C(OC1C2=CC(OC(=O)C)(C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(C=CC(C(=O)C2(OC(=O)C)CC1(OC(=O)C)C)C)(C)C)C=3C=CC=CC3

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isomeric SMILES

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

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found in taxon

Euphorbia serrula

1 reference

stated in

Isolation and Structure Determination of New Jatrophane Diterpenoids fromEuphorbia platyphyllos L

Euphorbia bifida

1 reference

stated in

Isolation and Structure Determination of New Jatrophane Diterpenoids fromEuphorbia platyphyllos L

Euphorbia hyssopifolia

1 reference

stated in

Isolation and Structure Determination of New Jatrophane Diterpenoids fromEuphorbia platyphyllos L

Euphorbia serrulata

1 reference

stated in

Isolation and Structure Determination of New Jatrophane Diterpenoids fromEuphorbia platyphyllos L

Euphorbia stricta

1 reference

stated in

Isolation and Structure Determination of New Jatrophane Diterpenoids fromEuphorbia platyphyllos L

Identifiers

InChI

InChI=1S/C39H48O15/c1-21-17-18-36(8,9)33(49-23(3)41)30(48-22(2)40)34(50-24(4)42)37(10,52-25(5)43)19-29-32(51-35(47)28-15-13-12-14-16-28)38(11,53-26(6)44)20-39(29,31(21)46)54-27(7)45/h12-19,21,30,32-34H,20H2,1-11H3/b18-17+,29-19+/t21-,30+,32+,33+,34+,37-,38+,39+/m1/s1

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InChIKey

JFFQLHCQHIEMAK-DOHFVBNCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JFFQLHCQHIEMAK-DOHFVBNCSA-N

(Q105126675)

[(1S,2S,3aS,5R,6E,9R,10S,11S,12R,13E)-2,3a,9,10,11,12-hexaacetyloxy-2,5,8,8,12-pentamethyl-4-oxo-1,3,5,9,10,11-hexahydrocyclopenta[12]annulen-1-yl] benzoate

Statements

Identifiers

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