(1aR,3S,7aR)-1aβ,2,3bβ,4,5,6,6aβ,7-Octahydro-2α,7α-dihydroxy-4β-octanoyloxy-3aα,5,5-trimethylspiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxirane] (CAS 33400-89-4) — formula C23H36O6, molecular weight 408.5; category organic chemicals.
| CAS Number | 33400-89-4 |
|---|---|
| Molecular Formula | C23H36O6 |
| Molecular Weight | 408.5 |
| LogP | 3.1 |
| Category | Organic Chemicals |
(1aR,3S,7aR)-1aβ,2,3bβ,4,5,6,6aβ,7-Octahydro-2α,7α-dihydroxy-4β-octanoyloxy-3aα,5,5-trimethylspiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxirane] is a carbon-based organic compound with CAS registry number 33400-89-4 and molecular formula C23H36O6 (molecular weight 408.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 33400-89-4
Its molecular formula C23H36O6 comprises 23 C, 36 H, 6 O atoms.
Also known as: (1aR,3S,7aR)-1aβ,2,3bβ,4,5,6,6aβ,7-Octahydro-2α,7α-dihydroxy-4β-octanoyloxy-3aα,5,5-trimethylspiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxirane] · (1aR,3S,7aR)-1aβ,2,3bβ,4,5,6,6aβ,7-八氢-2α,7α-二羟基-4β-辛酰氧基-3aα,5,5-三甲基螺[环戊基[4,5]五烯基[1,6a-b]环氧烯-3(3aH),2'-环氧乙烷]
Category: organic chemicals
The CAS registry number of (1aR,3S,7aR)-1aβ,2,3bβ,4,5,6,6aβ,7-Octahydro-2α,7α-dihydroxy-4β-octanoyloxy-3aα,5,5-trimethylspiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxirane] is 33400-89-4.
Molecular formula C23H36O6, molecular weight 408.5.
It is also registered under: (1aR,3S,7aR)-1aβ,2,3bβ,4,5,6,6aβ,7-Octahydro-2α,7α-dihydroxy-4β-octanoyloxy-3aα,5,5-trimethylspiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxirane], (1aR,3S,7aR)-1aβ,2,3bβ,4,5,6,6aβ,7-八氢-2α,7α-二羟基-4β-辛酰氧基-3aα,5,5-三甲基螺[环戊基[4,5]五烯基[1,6a-b]环氧烯-3(3aH),2'-环氧乙烷].
Category: Organic Chemicals.
Independent reference data for (1aR,3S,7aR)-1aβ,2,3bβ,4,5,6,6aβ,7-Octahydro-2α,7α-dihydroxy-4β-octanoyloxy-3aα,5,5-trimethylspiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxirane] (CAS 33400-89-4), compiled from public chemistry databases.
| CAS 号 | 33400-89-4 |
|---|---|
| PubChem CID | 177822916 |
| 分子式 | C23H36O6 |
| IUPAC 名称 | [(1R,2R,3S,6R,7R,8R,9S,10S,11R)-2,10-dihydroxy-5,5,8-trimethylspiro[12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-9,2'-oxirane]-6-yl] octanoate |
| Molecular Weight | 408.5 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 408.25118886 |
| Monoisotopic Mass | 408.25118886 |
| Topological Polar Surface Area | 91.8 |
| Heavy Atom Count | 29 |
orb3024458; TN10463; 33400-89-4
(1aR,3S,7aR)-1aβ,2,3bβ,4,5,6,6aβ,7-八氢-2α,7α-二羟基-4β-辛酰氧基-3aα,5,5-三甲基螺[环戊基[4,5]五烯基[1,6a-b]环氧烯-3(3aH),2'-环氧乙烷] · CAS 33400-89-4 · C23H36O6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.