(2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone (CAS 85269-23-4) — formula C21H36O5, molecular weight 368.5; category organic chemicals.
| CAS Number | 85269-23-4 |
|---|---|
| Molecular Formula | C21H36O5 |
| Molecular Weight | 368.5 |
| LogP | 1.9 |
| Category | Organic Chemicals |
(2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone is a carbon-based organic compound with CAS registry number 85269-23-4 and molecular formula C21H36O5 (molecular weight 368.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85269-23-4
Its molecular formula C21H36O5 comprises 21 C, 36 H, 5 O atoms.
Also known as: (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone · (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-八氢-2,7β-二羟基-4α-(3-羟基-1-氧代丙基)-2,4β,5α,7α-四甲基-3α-[(R)-1-甲基丙基]-1(2H)-萘酮
Category: organic chemicals
The CAS registry number of (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone is 85269-23-4.
Molecular formula C21H36O5, molecular weight 368.5.
It is also registered under: (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone, (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-八氢-2,7β-二羟基-4α-(3-羟基-1-氧代丙基)-2,4β,5α,7α-四甲基-3α-[(R)-1-甲基丙基]-1(2H)-萘酮.
Category: Organic Chemicals.
Independent reference data for (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2,7β-dihydroxy-4α-(3-hydroxy-1-oxopropyl)-2,4β,5α,7α-tetramethyl-3α-[(R)-1-methylpropyl]-1(2H)-naphthalenone (CAS 85269-23-4), compiled from public chemistry databases.
| CAS 号 | 85269-23-4 |
|---|---|
| PubChem CID | 158750 |
| 分子式 | C21H36O5 |
| IUPAC 名称 | (2S,3R,4R,4aS,5R,7R,8aS)-3-[(2R)-butan-2-yl]-2,7-dihydroxy-4-(3-hydroxypropanoyl)-2,4,5,7-tetramethyl-3,4a,5,6,8,8a-hexahydronaphthalen-1-one |
| UNII（FDA） | C9873620HS |
| Molecular Weight | 368.5 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 368.25627424 |
| Monoisotopic Mass | 368.25627424 |
| Topological Polar Surface Area | 94.8 |
| Heavy Atom Count | 26 |
BETAENONE B; 85269-23-4; C9873620HS; UNII-C9873620HS; NSC376691; SCHEMBL11136602; DTXSID40234463; CHEBI:145054; NSC-376691; Q4897328
(2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-八氢-2,7β-二羟基-4α-(3-羟基-1-氧代丙基)-2,4β,5α,7α-四甲基-3α-[(R)-1-甲基丙基]-1(2H)-萘酮 · CAS 85269-23-4 · C21H36O5. UNII C9873620HS.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (2S,4aα,8aβ)-3,4,4a,5,6,7,8,8a-八氢-2,7β-二羟基-4α-(3-羟基-1-氧代丙基)-2,4β,5α,7α-四甲基-3α-[(R)-1-甲基丙基]-1(2H)-萘酮