(3S,4aR,6R,10R,13aR)-3-Acetoxy-1,2,3,4,4a,5,6,9,10,11,12,13a-dodecahydro-6-hydroxy-4,4,13a-trimethyl-9-methylene-10,7-metheno-7H-benzocycloundecene-8,13-dione (CAS 73211-11-7) — formula C22H30O5, molecular weight 374.5; category organic chemicals.
| CAS Number | 73211-11-7 |
|---|---|
| Molecular Formula | C22H30O5 |
| Molecular Weight | 374.5 |
| LogP | 2.6 |
| Category | Organic Chemicals |
(3S,4aR,6R,10R,13aR)-3-Acetoxy-1,2,3,4,4a,5,6,9,10,11,12,13a-dodecahydro-6-hydroxy-4,4,13a-trimethyl-9-methylene-10,7-metheno-7H-benzocycloundecene-8,13-dione is a carbon-based organic compound with CAS registry number 73211-11-7 and molecular formula C22H30O5 (molecular weight 374.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 73211-11-7
Its molecular formula C22H30O5 comprises 22 C, 30 H, 5 O atoms.
Also known as: (3S,4aR,6R,10R,13aR)-3-Acetoxy-1,2,3,4,4a,5,6,9,10,11,12,13a-dodecahydro-6-hydroxy-4,4,13a-trimethyl-9-methylene-10,7-metheno-7H-benzocycloundecene-8,13-dione · (3S,4aR,6R,10R,13aR)-3-乙酰氧基-1,2,3,4,4a,5,6,9,10,11,12,13a-十二氢-6-羟基-4,4,13a-三甲基-9-亚甲基-10,7-亚甲基-7H-苯并环十一烯-8,13-二酮
Category: organic chemicals
The CAS registry number of (3S,4aR,6R,10R,13aR)-3-Acetoxy-1,2,3,4,4a,5,6,9,10,11,12,13a-dodecahydro-6-hydroxy-4,4,13a-trimethyl-9-methylene-10,7-metheno-7H-benzocycloundecene-8,13-dione is 73211-11-7.
Molecular formula C22H30O5, molecular weight 374.5.
It is also registered under: (3S,4aR,6R,10R,13aR)-3-Acetoxy-1,2,3,4,4a,5,6,9,10,11,12,13a-dodecahydro-6-hydroxy-4,4,13a-trimethyl-9-methylene-10,7-metheno-7H-benzocycloundecene-8,13-dione, (3S,4aR,6R,10R,13aR)-3-乙酰氧基-1,2,3,4,4a,5,6,9,10,11,12,13a-十二氢-6-羟基-4,4,13a-三甲基-9-亚甲基-10,7-亚甲基-7H-苯并环十一烯-8,13-二酮.
Category: Organic Chemicals.
Independent reference data for (3S,4aR,6R,10R,13aR)-3-Acetoxy-1,2,3,4,4a,5,6,9,10,11,12,13a-dodecahydro-6-hydroxy-4,4,13a-trimethyl-9-methylene-10,7-metheno-7H-benzocycloundecene-8,13-dione (CAS 73211-11-7), compiled from public chemistry databases.
| CAS 号 | 73211-11-7 |
|---|---|
| PubChem CID | 327536 |
| 分子式 | C22H30O5 |
| IUPAC 名称 | (2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate |
| Molecular Weight | 374.5 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 374.20932405 |
| Monoisotopic Mass | 374.20932405 |
| Topological Polar Surface Area | 80.7 |
| Heavy Atom Count | 27 |
Shikoccin; 73211-11-7; DTXSID20316392; (2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo(11.2.1.04,9)hexadec-1(16)-enyl) acetate; (2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate; RefChem:182733; DTXCID00267515; Isodon Shikokianus compound A; NSC302979; MLS002701797; CHEMBL1699228; ISODON SHIKOKIANUS, COMPOUND A; NSC-302979; NCI60_002557; PD011344; SMR001565391
(3S,4aR,6R,10R,13aR)-3-乙酰氧基-1,2,3,4,4a,5,6,9,10,11,12,13a-十二氢-6-羟基-4,4,13a-三甲基-9-亚甲基-10,7-亚甲基-7H-苯并环十一烯-8,13-二酮 · CAS 73211-11-7 · C22H30O5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.