(Q105165592)

English

Bryostatin-1

group of stereoisomers with the chemical formula C₄₇H₆₈O₁₇

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Statements

group of stereoisomers

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1 reference

904.445650716 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₇H₆₈O₁₇

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canonical SMILES

O=C(OC)C=C1CC2OC(C1)CC3(O)OC(CC(O)CC(=O)OC(CC4OC(O)(C(OC(=O)C=CC=CCCC)C(=CC(=O)OC)C4)C(C=C2)(C)C)C(O)C)CC(OC(=O)C)C3(C)C

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isomeric SMILES

CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)CC(/C=C/C(C)(C)[C@]1(O)O2)O4)O3

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Identifiers

InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33?,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1

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MJQUEDHRCUIRLF-SGXMQRQHSA-N

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3 references

26 December 2021

15 September 2022

matched by identifier from

MJQUEDHRCUIRLF-SGXMQRQHSA-N

UniChem compound ID

1 reference

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