(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,9,11-triacetate 1-benzoate (CAS 80454-47-3) — formula C33H44O9, molecular weight 584.7; category food additives.
(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,9,11-triacetate 1-benzoate (CAS 80454-47-3) is classified under Food Additives, with molecular formula C33H44O9 and molecular weight 584.7, and serves as a key raw material in the food and beverage industry — commonly applied as a food additive, nutritional supplement, or processing aid where regulatory-grade purity is required. Jinan Shenghe Chemical Co., Ltd. supplies (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,9,11-triacetate 1-benzoate at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 80454-47-3 |
|---|---|
| Molecular Formula | C33H44O9 |
| Molecular Weight | 584.7 |
| LogP | 5.1 |
| Category | Food Additives |
(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,9,11-triacetate 1-benzoate is a food-grade compound with CAS registry number 80454-47-3 and molecular formula C33H44O9 (molecular weight 584.7), belonging to the food additives segment of chemical raw materials.
CAS number: 80454-47-3
Its molecular formula C33H44O9 comprises 33 C, 44 H, 9 O atoms.
Also known as: (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,9,11-triacetate 1-benzoate · 大戟苷
Category: food additives
The CAS registry number of (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,9,11-triacetate 1-benzoate is 80454-47-3.
Molecular formula C33H44O9, molecular weight 584.7.
It is also registered under: (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,9,11-triacetate 1-benzoate, 大戟苷.
Category: Food Additives.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for (1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-1,2,3,4,5,8,9,10,11,13a-Decahydro-2,5,8,8,12-pentamethyl-3aH-cyclopentacyclododecene-1,3a,4,9,11-pentol 4,9,11-triacetate 1-benzoate (CAS 80454-47-3), compiled from public chemistry databases.
| CAS Number | 80454-47-3 |
|---|---|
| PubChem CID | 6440619 |
| Molecular Formula | C33H44O9 |
| IUPAC Name | [(1S,2S,3aR,4S,5S,6Z,9R,11R,12Z,13aS)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate |
| Molecular Weight | 584.7 |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 584.29853298 |
| Monoisotopic Mass | 584.29853298 |
| Topological Polar Surface Area | 125 |
| Heavy Atom Count | 42 |
(R)-PI3Kdelta-IN-15; 1707193-37-0; DA-53070
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 大戟苷