(Q105129564)

English

methyl (1S,2R,4R,8R,11R,15S,18R,21R,22R,23E,27R,28S)-4,28-diacetyloxy-2-hydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23-diene-21-carboxylate

chemical compound

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Statements

type of chemical entity

0 references

Methyl 4,28-diacetyloxy-2-hydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23-diene-21-carboxylate

1 reference

based on heuristic

inferred from SMILES

784.476162996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₆₈O₁₁

0 references

canonical SMILES

O=C(OC1C2=C(C)CC3C(=O)CC(C)CCCC(C(=O)CC(C(=O)CC3(C(=O)OC)C2C=C(C)CCC4OC(CCC4(OC(=O)C)C)C(O)(C)C1)C(C)C)C)C

0 references

isomeric SMILES

COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](OC(C)=O)C[C@@](C)(O)[C@@H]3CC[C@](C)(OC(C)=O)[C@@H](CC/C(C)=C/[C@H]12)O3

0 references

Sarcophyton tortuosum

1 reference

Further New Bis-cembranoids from the Hainan Soft CoralSarcophyton tortuosum

Identifiers

InChI=1S/C45H68O11/c1-25(2)32-22-35(48)28(5)14-12-13-26(3)20-36(49)33-21-29(6)41-34(45(33,23-37(32)50)42(51)53-11)19-27(4)15-16-40-44(10,56-31(8)47)18-17-39(55-40)43(9,52)24-38(41)54-30(7)46/h19,25-26,28,32-34,38-40,52H,12-18,20-24H2,1-11H3/b27-19+/t26-,28+,32-,33+,34-,38-,39+,40-,43-,44+,45+/m1/s1

0 references

JJCYFFDBFYPTHQ-MBWPAJORSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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