Tuberostemonine

• CAS: 6879-01-2
• Catalog Number: ACM6879012
• Category: Other Products
• Molecular Weight: 375.5
• Molecular Formula: C₂₂H₃₃NO₄
• Synonyms: (7aR,8aβ,11aβ,11bα,11cβ)-2β-[(2S,4S)-Tetrahydro-4-methyl-5-oxofuran-2-yl]-8β-ethyltetradecahydro-11β-methylfuro[2,3-h]pyrrolo[3,2,1-jk][1]benzoazepine-10-one
• InChI: InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1
• InChI Key: GYOGHROCTSEKDY-JJDZUBOLSA-N
• Melting Point: 86-88 °C
• Complexity: 636
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 10
• Exact Mass: 375.24095853
• Heavy Atom Count: 27
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](C(=O)O4)C)[C@@H]5[C@H]1OC(=O)[C@H]5C
• Monoisotopic Mass: 375.24095853
• Physical State: Solid
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 55.8 Ų

Custom Q&A

What is the molecular formula of tuberostemonine?

The molecular formula of tuberostemonine is C22H33NO4.

What is the molecular weight of tuberostemonine?

The molecular weight of tuberostemonine is 375.5 g/mol.

Where is tuberostemonine found in nature?

Tuberostemonine is a natural product found in Stemona tuberosa, Stemona sessilifolia, and other organisms.

What is the IUPAC name of tuberostemonine?

The IUPAC name of tuberostemonine is (1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.0 4,16 .0 11,15]hexadecan-13-one.

What is the InChI key of tuberostemonine?

The InChI key of tuberostemonine is GYOGHROCTSEKDY-JJDZUBOLSA-N.

How many hydrogen bond acceptor count does tuberostemonine have?

Tuberostemonine has 5 hydrogen bond acceptor count.

What is the XLogP3-AA value of tuberostemonine?

The XLogP3-AA value of tuberostemonine is 3.9.

What is the exact mass of tuberostemonine?

The exact mass of tuberostemonine is 375.24095853 g/mol.

How many defined atom stereocenters does tuberostemonine have?

Tuberostemonine has 10 defined atom stereocenters.

How many rotatable bond counts does tuberostemonine have?

Tuberstemonine has 2 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 486421-64-1

• 6879-01-2

Reference: [1] Journal of the American Chemical Society, 2005, vol. 127, # 1, p. 225 - 235
[2] Journal of the American Chemical Society, 2002, vol. 124, # 50, p. 14848 - 14849

Upstream Synthesis Route 2

• 171523-46-9

• 6879-01-2

Reference: [1] Journal of the American Chemical Society, 2005, vol. 127, # 1, p. 225 - 235
[2] Journal of the American Chemical Society, 2002, vol. 124, # 50, p. 14848 - 14849

Upstream Synthesis Route 3

• 486421-67-4

• 6879-01-2

Reference: [1] Journal of the American Chemical Society, 2005, vol. 127, # 1, p. 225 - 235
[2] Journal of the American Chemical Society, 2002, vol. 124, # 50, p. 14848 - 14849

Downstream Synthesis Route 1

• 6879-01-2
• 74-88-4

• 21504-57-4

Reference: [1]Chemische Berichte,1936,vol. 69,p. 74,79

* For details of the synthesis route, please refer to the original source to ensure accuracy.