Agn-PC-03DM82
4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
Also Known As: Barringtogenol C|Escinidin|Jegosapogenol|Jegosapogenol A|Saniculagenin D|Theasapogenol B|Careyagenol A|Giganteumgenin M|Aescinidin|Acutangenol B|Barrigenol R2|Proschiwalligenin PB1|AGN-PC-03DM82|16.beta.-Deuterobarringtogenol C|BARRINGTOGENOL C, 16 BETA|Olean-12-ene-3,16,21,22,28-pentol|Olean-12-ene-3,16,21,22,28-pentol #|4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol|Olean-12-ene-3beta,16alpha,21beta,22alpha,28-pentol|Olean-12-ene-3.beta.,16.alpha.,21.beta.,22.alpha.,28-pentol|22-O-Acetyl-21-O-(4'-O-angeloyl)-beta-d-fucopyranosyl theasapogenol B|Olean-12-ene-3,16,21,22,28-pentol, (3.beta.,16.alpha.,21.beta.,22.alpha.)-
| Molecular Formula | C30H50O5 |
|---|---|
| Molecular Weight | 490.3658 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 490.3658 |
| Monoisotopic Mass | 490.3658 |
| Heavy Atoms | 35 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 13844-01-4 |
|---|---|
| SMILES | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)C)O)C)C |
| InChIKey | AYDKOFQQBHRXEW-UHFFFAOYSA-N |
Product Overview
Agn-PC-03DM82 (CAS 13844-01-4), with molecular formula C30H50O5 and molecular weight 490.3658 g/mol. IUPAC: 4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol.
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