Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [1aS-[1aα,7aα(2E,7S*,11S*)]]- (9CI) (CAS 85955-78-8) — formula C31H46O3, molecular weight 466.7; category organic chemicals.
| CAS Number | 85955-78-8 |
|---|---|
| Molecular Formula | C31H46O3 |
| Molecular Weight | 466.7 |
| LogP | 10.1 |
| Category | Organic Chemicals |
Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [1aS-[1aα,7aα(2E,7S*,11S*)]]- (9CI) is a carbon-based organic compound with CAS registry number 85955-78-8 and molecular formula C31H46O3 (molecular weight 466.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85955-78-8
Its molecular formula C31H46O3 comprises 31 C, 46 H, 3 O atoms.
Also known as: Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [1aS-[1aα,7aα(2E,7S*,11S*)]]- (9CI) · 维生素 K1杂质16
Category: organic chemicals
The CAS registry number of Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [1aS-[1aα,7aα(2E,7S*,11S*)]]- (9CI) is 85955-78-8.
Molecular formula C31H46O3, molecular weight 466.7.
It is also registered under: Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [1aS-[1aα,7aα(2E,7S*,11S*)]]- (9CI), 维生素 K1杂质16.
Category: Organic Chemicals.
Independent reference data for Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [1aS-[1aα,7aα(2E,7S*,11S*)]]- (9CI) (CAS 85955-78-8), compiled from public chemistry databases.
| CAS 号 | 85955-78-8 |
|---|---|
| PubChem CID | 90479364 |
| 分子式 | C31H46O3 |
| IUPAC 名称 | (1aR,7aS)-7a-methyl-1a-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione |
| UNII（FDA） | Q6K17X9Y3V |
| Molecular Weight | 466.7 |
|---|---|
| XLogP3 | 10.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 14 |
| Exact Mass | 466.34469533 |
| Monoisotopic Mass | 466.34469533 |
| Topological Polar Surface Area | 46.7 |
| Heavy Atom Count | 34 |
Phytonadione epoxide, (E,2S,3R)-; 85955-78-8; UNII-Q6K17X9Y3V; Q6K17X9Y3V; RefChem:202625; (1aR,7aS)-7a-methyl-1a-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione; Vitamin K1 2,3-epoxide; Vitamin K1 oxide; Phylloquinone 2,3-epoxide; Phylloquinone-2,3-epoxide; A1EIL; trans-Epoxyphytomenadione CRS; (2R,3S)-Epoxide Vitamin K1; (E,2S,3R)-phytonadione epoxide; 1,4-Naphthoquinone, 2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-2,3-Epoxyphylloquinone; Q27287062
维生素 K1杂质16 · CAS 85955-78-8 · C31H46O3. UNII Q6K17X9Y3V.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 维生素 K1杂质16