(Q104252952)

English

8H-Cyclopentacyclododecen-8-one, 13,13a-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6-hydroxy-2,5,9,9,12-pentamethyl-, (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(3a,4-Diacetyloxy-11-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

540.2723182399999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₀O₈

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](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

4 references

stated in

Isolation and Structures of Euphohelins, New Toxic Diterpenes fromEuphorbia HelioscopiaL.

stated in

Cytotoxic macrocyclic diterpenoids from Euphorbia helioscopia

stated in

Diterpenes from Euphorbia helioscopia

stated in

Structural and conformational studies on euphohelioscopins A and B and related diterpenes

Identifiers

InChI

InChI=1S/C31H40O8/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/h8-15,18,20,24-25,27-28,34H,16-17H2,1-7H3/b14-13-,19-15-/t18-,20-,24+,25-,27+,28-,31-/m1/s1

0 references

InChIKey

OQLAYVOSMBSWSF-FOFWAKMFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OQLAYVOSMBSWSF-FOFWAKMFSA-N

1 reference

(Q104252952)

8H-Cyclopentacyclododecen-8-one, 13,13a-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-6-hydroxy-2,5,9,9,12-pentamethyl-, (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-

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Identifiers

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