2-[(2R,3S,4S,5R)-6-[(1R)-1-[(2S,5R,7S,8R)-2-[(2R,5S)-5-[(2R)-3-[(5S)-4,5-Dimethoxy-6-methyloxan-2-yl]oxy-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid

Base Information

Chemical Name:2-[(2R,3S,4S,5R)-6-[(1R)-1-[(2S,5R,7S,8R)-2-[(2R,5S)-5-[(2R)-3-[(5S)-4,5-Dimethoxy-6-methyloxan-2-yl]oxy-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid
CAS No.:61991-54-6
Molecular Formula:C28H20O11
Molecular Weight:917.14
Hs Code.:
Metabolomics Workbench ID:116003
Mol file:61991-54-6.mol

2-[(2R,3S,4S,5R)-6-[(1R)-1-[(2S,5R,7S,8R)-2-[(2R,5S)-5-[(2R)-3-[(5S)-4,5-Dimethoxy-6-methyloxan-2-yl]oxy-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid

Synonyms:maduramicin;maduramycin

Suppliers and Price of 2-[(2R,3S,4S,5R)-6-[(1R)-1-[(2S,5R,7S,8R)-2-[(2R,5S)-5-[(2R)-3-[(5S)-4,5-Dimethoxy-6-methyloxan-2-yl]oxy-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-[(2R,3S,4S,5R)-6-[(1R)-1-[(2S,5R,7S,8R)-2-[(2R,5S)-5-[(2R)-3-[(5S)-4,5-Dimethoxy-6-methyloxan-2-yl]oxy-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid

Chemical Property:

Appearance/Colour:white crystalline powder
Vapor Pressure:0mmHg at 25°C
Melting Point:305-310 oC
Boiling Point:913.9°C at 760 mmHg
Flash Point:255.5°C
PSA：211.99000
LogP:4.64080
XLogP3:3.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:13
Exact Mass:916.53955108
Heavy Atom Count:64
Complexity:1610

Purity/Quality:: 99% ^*data from raw suppliers

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MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C6C(C(C(C(O6)(CC(=O)O)O)C)OC)OC)C)O)C)C)OC7CC(C(C(O7)C)OC)OC)(C)O)C
Isomeric SMILES:C[C@H]1C[C@H]([C@@](OC1C2CC([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H](C(O5)[C@@H](C)C6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)OC)OC)C)O)C)C)OC7CC([C@H](C(O7)C)OC)OC)(C)O)C

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