Alisol B

• CAS: 18649-93-9
• Catalog Number: ACM18649939
• Category: Other Products
• Molecular Weight: 472.7
• Molecular Formula: C30H48O4
• Synonyms: (23S,24R)-24,25-Epoxy-11b,23-dihydroxy-8a,9b,14b-dammar-13(17)-en-3-one
• IUPAC Name: (5R,8S,9S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
• Canonical SMILES: C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)O)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O
• InChI: InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
• InChI Key: GBJKHDVRXAVITG-UNPOXIGHSA-N
• Boiling Point: 575.1±50.0 °C
• Melting Point: 166-168 °C
• Density: 1.12±0.1 g/ml
• Appearance: Powder

Custom Q&A

What is the molecular formula of Alisol B?

The molecular formula of Alisol B is C30H48O4.

What is the molecular weight of Alisol B?

The molecular weight of Alisol B is 472.7 g/mol.

In which natural products is Alisol B found?

Alisol B is found in Alisma, Alisma plantago-aquatica, and other organisms with available data.

What is the IUPAC Name of Alisol B?

The IUPAC Name of Alisol B is (5R,8S,9S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one.

What is the InChI of Alisol B?

The InChI of Alisol B is InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1.

What is the CAS number of Alisol B?

The CAS number of Alisol B is 18649-93-9.

What is the XLogP3-AA value of Alisol B?

The XLogP3-AA value of Alisol B is 4.8.

How many hydrogen bond donor counts does Alisol B have?

Alisol B has 2 hydrogen bond donor counts.

What is the topological polar surface area of Alisol B?

The topological polar surface area of Alisol B is 70.1 2.

How many defined atom stereocenter counts does Alisol B have?

Alisol B has 9 defined atom stereocenter counts.