(Q105269905)

English

(2S)-2-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-5-azatetracyclo[20.2.1.04,9.011,16]pentacosa-2,4,14,17-tetraen-14-yl]-4-methyl-2H-furan-5-one

group of stereoisomers with the chemical formula C₃₂H₄₅NO₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

507.33485892 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₅NO₄

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canonical SMILES

O=C1OC(C=C1C)C2=C(C)C3C=C(C)C(O)CCC4OC(C(=CC5=NCCCC5CC3CC2)C)C(C)C4

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isomeric SMILES

CC1=C[C@@H](C2=C(C)[C@@H]3/C=C(\C)[C@@H](O)CC[C@H]4C[C@@H](C)[C@H](O4)/C(C)=C/C4=NCCC[C@@H]4CC3CC2)OC1=O

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found in taxon

Gymnodinium

2 references

stated in

New analogue of gymnodimine from a Gymnodinium species

stated in

Gymnodimine, a new marine toxin of unprecedented structure isolated from New Zealand oysters and the dinoflagellate, Gymnodinium sp.

Identifiers

InChI

InChI=1S/C32H45NO4/c1-18-14-27-22(5)26(30-16-21(4)32(35)37-30)10-8-23(27)17-24-7-6-12-33-28(24)15-20(3)31-19(2)13-25(36-31)9-11-29(18)34/h14-16,19,23-25,27,29-31,34H,6-13,17H2,1-5H3/b18-14+,20-15+/t19-,23?,24-,25+,27+,29+,30+,31+/m1/s1

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InChIKey

UCHGCIXABSCOFK-STHGLBKMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UCHGCIXABSCOFK-STHGLBKMSA-N

1 reference

(Q105269905)

(2S)-2-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-5-azatetracyclo[20.2.1.04,9.011,16]pentacosa-2,4,14,17-tetraen-14-yl]-4-methyl-2H-furan-5-one

Statements

Identifiers

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