(Q105329796)

English

XKZPTQQUFFIGKZ-YJNVZYCGSA-N

chemical compound

In more languages

Statements

type of chemical entity

0 references

(5E,7E)-26,31-dihydroxy-24-(hydroxymethyl)-20,28,32-trimethyl-13-(nona-1,3,5-trien-1-yl)-2,18-dioxahexacyclo[18.13.0.0¹,²¹.0¹¹,¹⁴.0²²,³¹.0²⁶,³⁰]tritriaconta-5,7,9,15,23,28-hexaene-3,17,27-trione

1 reference

based on heuristic

inferred from SMILES

710.381868688 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₅₄O₈

0 references

canonical SMILES

O=C1OCC2(C)C3C4C=C(CO)CC5(O)C(=O)C(=CC5C4(O)C(C)CC32OC(=O)CC=CC=CC=CC6CC(C=CC=CC=CCCC)C6C=C1)C

0 references

isomeric SMILES

CCC/C=C/C=C/C=C/[C@H]1C[C@@H]2/C=C\C=C\C=C\CC(=O)O[C@@]34C[C@@H](C)[C@@]5(O)[C@@H](C=C(CO)C[C@]6(O)C(=O)C(C)=C[C@H]65)[C@@H]3[C@@]4(C)COC(=O)/C=C\[C@H]21

0 references

1 reference

Novel 12-deoxy-16-hydroxyphorbol diesters isolated from the seed oil of Jatropha curcas

Identifiers

InChI=1S/C44H54O8/c1-5-6-7-8-9-11-14-17-32-24-33-18-15-12-10-13-16-19-38(47)52-43-25-30(3)44(50)35(39(43)41(43,4)28-51-37(46)21-20-34(32)33)23-31(27-45)26-42(49)36(44)22-29(2)40(42)48/h7-18,20-23,30,32-36,39,45,49-50H,5-6,19,24-28H2,1-4H3/b8-7+,11-9+,12-10+,16-13+,17-14+,18-15-,21-20-/t30-,32+,33+,34+,35+,36-,39-,41-,42-,43+,44-/m1/s1

0 references

XKZPTQQUFFIGKZ-YJNVZYCGSA-N

0 references

2 references

15 September 2022

matched by identifier from

XKZPTQQUFFIGKZ-YJNVZYCGSA-N

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