(Q105154985)

English

N-[(1E)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5E,7E,13E,19E,25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-N-methylformamide

group of stereoisomers with the chemical formula C₅₄H₈₇NO₁₃

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instance of

group of stereoisomers

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1 reference

957.6177418440001 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₄H₈₇NO₁₃

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canonical SMILES

O=CN(C=CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C2)C(C)C(OC)CC(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C

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isomeric SMILES

COC1/C=C/C(C)C(C(C)C(OC)C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)CC(OC)CC2=CC(=O)O[C@H](C2)C(C)C(OC)CC(OC)/C=C/C(C)C(OC)C1

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Identifiers

InChI

InChI=1S/C54H87NO13/c1-35-18-16-20-51(58)68-54(41(7)53(66-15)37(3)23-26-46(57)39(5)47(63-12)19-17-27-55(8)34-56)38(4)22-25-43(60-9)32-48(64-13)36(2)21-24-44(61-10)33-49(65-14)40(6)50-30-42(31-52(59)67-50)29-45(28-35)62-11/h16-18,20-22,24-25,27,31,34,36-41,43-45,47-50,53-54H,19,23,26,28-30,32-33H2,1-15H3/b20-16+,24-21+,25-22+,27-17+,35-18+/t36?,37?,38?,39?,40?,41?,43?,44?,45?,47?,48?,49?,50-,53?,54?/m1/s1

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InChIKey

LOYDTENNTZZQJM-FJVZNZLHSA-N

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PubChem CID

5468564

1 reference

based on heuristic

inferred from InChIKey

1 reference

(Q105154985)

N-[(1E)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(5E,7E,13E,19E,25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-en-1-yl]-N-methylformamide

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