(Q104907775)

English

(2S)-N-[(4S,4aR,6R,8S,8aR)-6-[(2S)-3-hydroxy-2-methoxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

N-[(6R,8aR)-6-[(2S)-3-hydroxy-2-methoxypropyl]-8-methoxy-7,7-dimethyl-hexahydropyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]ethanimidic acid

1 reference

based on heuristic

inferred from SMILES

mass

517.288696576 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₃NO₁₀

0 references

canonical SMILES

C=C1CC(OC)(C(O)C(=O)NC2OCOC3C2OC(CC(CO)OC)C(C)(C)C3OC)OC(C)C1C

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isomeric SMILES

C=C1C[C@](OC)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@H]2O[C@H](C[C@@H](CO)OC)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C

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found in taxon

Mycale

1 reference

stated in

Antiviral and antitumor agents from a New Zealand sponge, Mycale sp. 2. Structures and solution conformations of mycalamides A and B

Identifiers

InChI

InChI=1S/C25H43NO10/c1-13-10-25(32-8,36-15(3)14(13)2)20(28)22(29)26-23-19-18(33-12-34-23)21(31-7)24(4,5)17(35-19)9-16(11-27)30-6/h14-21,23,27-28H,1,9-12H2,2-8H3,(H,26,29)/t14-,15-,16+,17-,18+,19-,20-,21-,23+,25-/m1/s1

0 references

InChIKey

AAABMNXUOFPYQK-DJKHTABZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AAABMNXUOFPYQK-DJKHTABZSA-N

1 reference

(Q104907775)

(2S)-N-[(4S,4aR,6R,8S,8aR)-6-[(2S)-3-hydroxy-2-methoxypropyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

Statements

Identifiers

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