(2S,3R,4R,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2β,7β-dihydroxy-4-[(Z)-3-hydroxy-1-oxo-2-propenyl]-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone (CAS 85269-25-6) — formula C21H34O5, molecular weight 366.5; category organic chemicals.
| CAS Number | 85269-25-6 |
|---|---|
| Molecular Formula | C21H34O5 |
| Molecular Weight | 366.5 |
| LogP | 3.1 |
| Category | Organic Chemicals |
(2S,3R,4R,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2β,7β-dihydroxy-4-[(Z)-3-hydroxy-1-oxo-2-propenyl]-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone is a carbon-based organic compound with CAS registry number 85269-25-6 and molecular formula C21H34O5 (molecular weight 366.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85269-25-6
Its molecular formula C21H34O5 comprises 21 C, 34 H, 5 O atoms.
Also known as: (2S,3R,4R,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2β,7β-dihydroxy-4-[(Z)-3-hydroxy-1-oxo-2-propenyl]-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone · (2S,3R,4R,4aα,8aβ)-3,4,4a,5,6,7,8,8a-八氢-2β,7β-二羟基-4-[(Z)-3-羟基-1-氧代-2-丙烯基]-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)-3,4,4a,5,6,7,8,8a-Octahydro-2β,7β-dihydroxy-4-[(Z)-3-hydroxy-1-oxo-2-propenyl]-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone is 85269-25-6.
Molecular formula C21H34O5, molecular weight 366.5.
It is also registered under: (2S,3R,4R,4aα,8aβ)-3,4,4a,5,6,7,8,8a-Octahydro-2β,7β-dihydroxy-4-[(Z)-3-hydroxy-1-oxo-2-propenyl]-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone, (2S,3R,4R,4aα,8aβ)-3,4,4a,5,6,7,8,8a-八氢-2β,7β-二羟基-4-[(Z)-3-羟基-1-氧代-2-丙烯基]-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)-3,4,4a,5,6,7,8,8a-Octahydro-2β,7β-dihydroxy-4-[(Z)-3-hydroxy-1-oxo-2-propenyl]-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone (CAS 85269-25-6), compiled from public chemistry databases.
| CAS 号 | 85269-25-6 |
|---|---|
| PubChem CID | 23244602 |
| 分子式 | C21H34O5 |
| IUPAC 名称 | (2S,3R,4R,4aS,5R,7R,8aS)-3-[(2R)-butan-2-yl]-2,7-dihydroxy-4-[(Z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-3,4a,5,6,8,8a-hexahydronaphthalen-1-one |
| UNII（FDA） | S651337T8I |
| Molecular Weight | 366.5 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 366.24062418 |
| Monoisotopic Mass | 366.24062418 |
| Topological Polar Surface Area | 94.8 |
| Heavy Atom Count | 26 |
Betaenone C; (-)-Betaenone C; Betaenone C, (-)-; 85269-25-6; S651337T8I; UNII-S651337T8I; RefChem:119523; SCHEMBL11036792; CHEBI:145053; DTXSID001029782
(2S,3R,4R,4aα,8aβ)-3,4,4a,5,6,7,8,8a-八氢-2β,7β-二羟基-4-[(Z)-3-羟基-1-氧代-2-丙烯基]-2α,4,5α,7α-四甲基-3-[(R)-1-甲基丙基]-1(2H)-萘酮 · CAS 85269-25-6 · C21H34O5. UNII S651337T8I.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.