(Q104396206)

English

(2S)-N-[(4S,4aR,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-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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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

503.273046512 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-N-[(4R,4aS,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₄₁NO₁₀

0 references

canonical SMILES

C=C1CC(OC)(C(O)C(=O)NC2OCOC3C2OC(CC(O)CO)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](O)CO)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C

0 references

found in taxon

Mycale

4 references

stated in

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

stated in

Mycalamide A, an antiviral compound from a New Zealand sponge of the genus Mycale

stated in

Peloruside A: a potent cytotoxic macrolide isolated from the new zealand marine sponge Mycale sp

stated in

Mycalamide D, a new cytotoxic amide from the New Zealand marine sponge Mycale species

Stylinos

1 reference

stated in

Mycalamides C and D, cytotoxic compounds from the marine sponge Stylinos n. species

Identifiers

InChI

InChI=1S/C24H41NO10/c1-12-9-24(31-7,35-14(3)13(12)2)19(28)21(29)25-22-18-17(32-11-33-22)20(30-6)23(4,5)16(34-18)8-15(27)10-26/h13-20,22,26-28H,1,8-11H2,2-7H3,(H,25,29)/t13-,14-,15+,16-,17+,18-,19-,20-,22+,24-/m1/s1

0 references

InChIKey

IJASURGZDJYQGF-JBHOHIEMSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

IJASURGZDJYQGF-JBHOHIEMSA-N

1 reference

(Q104396206)

(2S)-N-[(4S,4aR,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-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

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