(Q105306352)

English

methyl (2Z)-2-[(1S,3S,5S,7S,10S,11S,15R,16R,19R,20R,21R,24R,26S,29R)-1,11,16,21-tetrahydroxy-10,20,24,29-tetramethyl-5-(2-methylprop-1-enyl)-9,25-dioxo-4,8,27,28-tetraoxapentacyclo[17.7.1.13,7.111,15.021,26]nonacosan-13-ylidene]acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

methyl 2-[(13E)-1,11,16,21-tetrahydroxy-10,20,24,29-tetramethyl-5-(2-methylprop-1-en-1-yl)-9,25-dioxo-4,8,27,28-tetraoxapentacyclo[17.7.1.1³,⁷.1¹¹,¹⁵.0²¹,²⁶]nonacosan-13-ylidene]acetate

1 reference

based on heuristic

inferred from SMILES

678.361527168 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄O₁₂

0 references

canonical SMILES

O=C(OC)C=C1CC2OC(O)(C1)C(C(=O)OC3CC(OC(CC4(O)OC(CCC2O)C(C)C5(O)CCC(C(=O)C45)C)C3C)C=C(C)C)C

0 references

isomeric SMILES

COC(=O)/C=C1/C[C@H]2O[C@@](O)(C1)[C@H](C)C(=O)O[C@H]1C[C@@H](C=C(C)C)O[C@@H](C[C@]3(O)O[C@H](CC[C@H]2O)[C@@H](C)[C@]2(O)CC[C@@H](C)C(=O)[C@@H]32)[C@H]1C

0 references

Polyfibrospongia

1 reference

Miyakolide: a bryostatin-like macrolide from a sponge, Polyfibrospongia sp

Identifiers

InChI=1S/C36H54O12/c1-18(2)12-24-15-27-20(4)29(45-24)17-36(43)32-31(39)19(3)10-11-34(32,41)21(5)26(47-36)9-8-25(37)28-13-23(14-30(38)44-7)16-35(42,48-28)22(6)33(40)46-27/h12,14,19-22,24-29,32,37,41-43H,8-11,13,15-17H2,1-7H3/b23-14-/t19-,20+,21-,22-,24-,25-,26-,27+,28-,29+,32-,34-,35+,36+/m1/s1

0 references

WILYBKPDJRBLGL-JHCIIYJTSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

WILYBKPDJRBLGL-JHCIIYJTSA-N

UniChem compound ID

1 reference

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