(2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-13,13a-Bis(acetyloxy)-3,6-bis(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-8H-cyclopentacyclododecen-8-one (CAS 87064-59-3) — formula C38H44O9, molecular weight 644.7; category organic chemicals.
| CAS Number | 87064-59-3 |
|---|---|
| Molecular Formula | C38H44O9 |
| Molecular Weight | 644.7 |
| LogP | 6.5 |
| Category | Organic Chemicals |
(2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-13,13a-Bis(acetyloxy)-3,6-bis(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-8H-cyclopentacyclododecen-8-one is a carbon-based organic compound with CAS registry number 87064-59-3 and molecular formula C38H44O9 (molecular weight 644.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 87064-59-3
Its molecular formula C38H44O9 comprises 38 C, 44 H, 9 O atoms.
Also known as: (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-13,13a-Bis(acetyloxy)-3,6-bis(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-8H-cyclopentacyclododecen-8-one · (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-13,13a-双(乙酰氧基)-3,6-双(苯甲酰氧基)-1,2,3, 3a,6,7,9,12,13,13a-十氢-2,5,9,9,12-五甲基-8H-环五环十二烯-8-酮
Category: organic chemicals
The CAS registry number of (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-13,13a-Bis(acetyloxy)-3,6-bis(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-8H-cyclopentacyclododecen-8-one is 87064-59-3.
Molecular formula C38H44O9, molecular weight 644.7.
It is also registered under: (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-13,13a-Bis(acetyloxy)-3,6-bis(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-8H-cyclopentacyclododecen-8-one, (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-13,13a-双(乙酰氧基)-3,6-双(苯甲酰氧基)-1,2,3, 3a,6,7,9,12,13,13a-十氢-2,5,9,9,12-五甲基-8H-环五环十二烯-8-酮.
Category: Organic Chemicals.
Independent reference data for (2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-13,13a-Bis(acetyloxy)-3,6-bis(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-8H-cyclopentacyclododecen-8-one (CAS 87064-59-3), compiled from public chemistry databases.
| CAS 号 | 87064-59-3 |
|---|---|
| PubChem CID | 15628016 |
| 分子式 | C38H44O9 |
| IUPAC 名称 | [(1S,2R,3aR,4R,5R,6E,11R,12E,13aS)-3a,4-diacetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-11-yl] benzoate |
| Molecular Weight | 644.7 |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 10 |
| Exact Mass | 644.29853298 |
| Monoisotopic Mass | 644.29853298 |
| Topological Polar Surface Area | 122 |
| Heavy Atom Count | 47 |
euphoscopin C; 87064-59-3; RefChem:139503; CHEMBL506068; SCHEMBL30361070; HY-143283; CS-0434349
(2R,3S,3aS,4E,6R,10E,12R,13R,13aR)-13,13a-双(乙酰氧基)-3,6-双(苯甲酰氧基)-1,2,3, 3a,6,7,9,12,13,13a-十氢-2,5,9,9,12-五甲基-8H-环五环十二烯-8-酮 · CAS 87064-59-3 · C38H44O9.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.