(Q105237609)

English

(2S)-2-[(1R,4R,7R,9R,10E,12R,17R,19R,20R,29R,32R)-9,32-dihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl]-4-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-(9,32-dihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-4-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

677.429153228 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-2-[(1S,4S,7R,9R,10Z,12R,17R,19S,20R,29S,32R)-9,32-dihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl]-4-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₁H₅₉NO₇

0 references

canonical SMILES

O=C1OC(C=C1C)C2=C(C)C3C=C(C)C(O)CC4OC5(OC6(OC(CC(=C)CCCC7=NCC(C)C(C)CC73CC2)CCC6O)CC5)CC4

0 references

isomeric SMILES

C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@H]3/C=C(\C)[C@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@H](CC[C@H]4O)C1)O3)O2

0 references

found in taxon

Alexandrium ostenfeldii

1 reference

stated in

Spirolide toxin profile of Adriatic Alexandrium ostenfeldii cultures and structure elucidation of 27-hydroxy-13,19-didesmethyl spirolide C.

Identifiers

InChI

InChI=1S/C41H59NO7/c1-24-8-7-9-36-39(22-27(4)28(5)23-42-36)14-13-32(35-20-26(3)38(45)46-35)29(6)33(39)19-25(2)34(43)21-31-12-15-40(47-31)16-17-41(49-40)37(44)11-10-30(18-24)48-41/h19-20,27-28,30-31,33-35,37,43-44H,1,7-18,21-23H2,2-6H3/b25-19+/t27-,28+,30-,31-,33-,34-,35+,37-,39-,40-,41-/m1/s1

0 references

InChIKey

RJNGYXYCHGHJLS-VMFUYBNRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RJNGYXYCHGHJLS-VMFUYBNRSA-N

(Q105237609)

(2S)-2-[(1R,4R,7R,9R,10E,12R,17R,19R,20R,29R,32R)-9,32-dihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl]-4-methyl-2H-furan-5-one

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Identifiers

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