Toosendanin

• Catalog Number: ACM58812376
• Product Name: Toosendanin
• CAS: 58812-37-6
• Category: Heterocyclic Organic Compound
• Synonyms: TOOSENDANIN;24-Norchola-20,22-diene-4-carboxaldehyde,3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-,cyclic4,19-hemiacetal, [C(R),1α,3α,4β, 5α,7α,12α,13α,14β,15β,17α]-;Chuanliansu;28-Deacetylsendanin;12-AcetoxyaMoorastatin
• Molecular Weight: 574.62
• Molecular Formula: C30H38O11
• Canonical SMILES: CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)OC(=O)C)C)O)C)O)O
• InChI: InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26?,27+,28+,29+,30+/m0/s1
• InChI Key: NAHTXVIXCMUDLF-SLWGVJJJSA-N
• Appearance: White powder

Custom Q&A

What is the molecular formula of toosendanin?

The molecular formula of toosendanin is C30H38O11.

What is the molecular weight of toosendanin?

The molecular weight of toosendanin is 574.6 g/mol.

What are the synonyms of toosendanin?

The synonyms of toosendanin are Chuanliansu and 12-Acetoxyamoorastatin.

What is the IUPAC name of toosendanin?

The IUPAC name of toosendanin is [(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16R,19S,21R)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate.

What is the InChI of toosendanin?

The InChI of toosendanin is InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26+,27+,28+,29+,30+/m0/s1.

What is the InChIKey of toosendanin?

The InChIKey of toosendanin is NAHTXVIXCMUDLF-RFNFAWMESA-N.

What is the canonical SMILES of toosendanin?

The canonical SMILES of toosendanin is CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)OC(=O)C)C)O)C)O)O.

What is the CAS number of toosendanin?

The CAS number of toosendanin is 58812-37-6.

What is the European Community (EC) number of toosendanin?

The European Community (EC) number of toosendanin is 683-199-2.

What is the hydrogen bond acceptor count of toosendanin?

The hydrogen bond acceptor count of toosendanin is 11.