Podophyllotoxin O-furfurylidene-beta-D-glucopyranoside structure

Podophyllotoxin O-furfurylidene-beta-D-glucopyranoside

(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Also Known As: Podophyllotoxin-furfuryliden-glucosid|KST-1A4568|Podophyllotoxin-furfuryliden-glucosid [German]|Podophyllotoxin O-furfurylidene-beta-D-glucopyranoside|4,6-O-Furfurylidene-beta-D-glucopyranoside podophyllotoxin|Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-((4,6-O-(furfurylidene)-beta-D-glucopyranosyl)oxy)-5-(3,4,5-trimethoxyphenyl)-, (5R-(5-alpha,5-beta,8a-alpha,9-alpha))-|(5s,5ar,8ar,9r)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-o-(furan-2-ylmethylidene)-|A-d-glucopyranoside|(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one|(5S,5aR,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(R)-(furan-2-yl)methylidene]-beta-D-glucopyranoside|8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(furan-2-yl)methylidene]hexopyranoside|Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[[4,6-O-(2-furanylmethylene)-.beta.-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(R*)]]-

CAS: 40034-68-2
Molecular Formula C33H34O14
Molecular Weight 654.1949 g/mol
LogP 1.0
Topological Polar Surface Area 163.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 14
Rotatable Bonds 7
Exact Mass 654.1949
Monoisotopic Mass 654.1949
Heavy Atoms 47
Complexity 1100.0

Chemical Identifiers

CAS Number 40034-68-2
SMILES COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CO8)O)O
InChIKey AQRJBWFVLCAKFF-LOUJXSFCSA-N

Product Overview

Podophyllotoxin O-furfurylidene-beta-D-glucopyranoside (CAS 40034-68-2), with molecular formula C33H34O14 and molecular weight 654.1949 g/mol. IUPAC: (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Podophyllotoxin O-furfurylidene-beta-D-glucopyranoside is a custom synthesis product. We offer services from milligram to kilogram scale.

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