(2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone (CAS 85269-24-5) — formula C23H38O6, molecular weight 410.5; category organic chemicals.
| CAS Number | 85269-24-5 |
|---|---|
| Molecular Formula | C23H38O6 |
| Molecular Weight | 410.5 |
| LogP | 2.5 |
| Category | Organic Chemicals |
(2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone is a carbon-based organic compound with CAS registry number 85269-24-5 and molecular formula C23H38O6 (molecular weight 410.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85269-24-5
Its molecular formula C23H38O6 comprises 23 C, 38 H, 6 O atoms.
Also known as: (2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone · (2S,3R,4R,4aα,8aβ)-4-[3-(乙酰氧基)-1-氧代丙基]-3,4,4a,5,6,7,8,8a-八氢-2β,7β-二羟基-2α,4,5α,7α-四甲基-3-[(R)-1-甲基丙基]-1(2H)-萘酮
Category: organic chemicals
The CAS registry number of (2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone is 85269-24-5.
Molecular formula C23H38O6, molecular weight 410.5.
It is also registered under: (2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone, (2S,3R,4R,4aα,8aβ)-4-[3-(乙酰氧基)-1-氧代丙基]-3,4,4a,5,6,7,8,8a-八氢-2β,7β-二羟基-2α,4,5α,7α-四甲基-3-[(R)-1-甲基丙基]-1(2H)-萘酮.
Category: Organic Chemicals.
Independent reference data for (2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone (CAS 85269-24-5), compiled from public chemistry databases.
| CAS 号 | 85269-24-5 |
|---|---|
| PubChem CID | 102093874 |
| 分子式 | C23H38O6 |
| IUPAC 名称 | [3-[(1R,2R,3S,4aS,6R,8R,8aS)-2-[(2R)-butan-2-yl]-3,6-dihydroxy-1,3,6,8-tetramethyl-4-oxo-2,4a,5,7,8,8a-hexahydronaphthalen-1-yl]-3-oxopropyl] acetate |
| UNII（FDA） | 3PA5373MPV |
| Molecular Weight | 410.5 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 410.26683893 |
| Monoisotopic Mass | 410.26683893 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 29 |
Betaenone F; 3PA5373MPV; UNII-3PA5373MPV; 85269-24-5; RefChem:119526
(2S,3R,4R,4aα,8aβ)-4-[3-(乙酰氧基)-1-氧代丙基]-3,4,4a,5,6,7,8,8a-八氢-2β,7β-二羟基-2α,4,5α,7α-四甲基-3-[(R)-1-甲基丙基]-1(2H)-萘酮 · CAS 85269-24-5 · C23H38O6. UNII 3PA5373MPV.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.