(E)-2-Methyl-4-[(1R,14aS)-3aβ,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5α-methano-3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-butenal (CAS 1064-71-7) — formula C33H36O7, molecular weight 544.6; category organic chemicals.
| CAS Number | 1064-71-7 |
|---|---|
| Molecular Formula | C33H36O7 |
| Molecular Weight | 544.6 |
| LogP | 5.3 |
| Category | Organic Chemicals |
(E)-2-Methyl-4-[(1R,14aS)-3aβ,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5α-methano-3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-butenal is a carbon-based organic compound with CAS registry number 1064-71-7 and molecular formula C33H36O7 (molecular weight 544.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1064-71-7
Its molecular formula C33H36O7 comprises 33 C, 36 H, 7 O atoms.
Also known as: (E)-2-Methyl-4-[(1R,14aS)-3aβ,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5α-methano-3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-butenal · (E)-2-甲基-4-[(1R,14aS)-3aβ,4,5,7-四氢-8-羟基-3,3,11,11-四甲基-13-(3-甲基(1-2-丁烯基)-7,15-二氧代-1,5α-甲-3H,11H-呋喃[3,4-g]吡喃并[3,2-b]呫吨-1-基]-2-丁烯醛
Category: organic chemicals
The CAS registry number of (E)-2-Methyl-4-[(1R,14aS)-3aβ,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5α-methano-3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-butenal is 1064-71-7.
Molecular formula C33H36O7, molecular weight 544.6.
It is also registered under: (E)-2-Methyl-4-[(1R,14aS)-3aβ,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5α-methano-3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-butenal, (E)-2-甲基-4-[(1R,14aS)-3aβ,4,5,7-四氢-8-羟基-3,3,11,11-四甲基-13-(3-甲基(1-2-丁烯基)-7,15-二氧代-1,5α-甲-3H,11H-呋喃[3,4-g]吡喃并[3,2-b]呫吨-1-基]-2-丁烯醛.
Category: Organic Chemicals.
Independent reference data for (E)-2-Methyl-4-[(1R,14aS)-3aβ,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5α-methano-3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-butenal (CAS 1064-71-7), compiled from public chemistry databases.
| CAS 号 | 1064-71-7 |
|---|---|
| PubChem CID | 12313004 |
| 分子式 | C33H36O7 |
| IUPAC 名称 | (E)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal |
| Molecular Weight | 544.6 |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 544.24610348 |
| Monoisotopic Mass | 544.24610348 |
| Topological Polar Surface Area | 99.1 |
| Heavy Atom Count | 40 |
Isomorellin; RefChem:923741; 1064-71-7; SCHEMBL30271496
(E)-2-甲基-4-[(1R,14aS)-3aβ,4,5,7-四氢-8-羟基-3,3,11,11-四甲基-13-(3-甲基(1-2-丁烯基)-7,15-二氧代-1,5α-甲-3H,11H-呋喃[3,4-g]吡喃并[3,2-b]呫吨-1-基]-2-丁烯醛 · CAS 1064-71-7 · C33H36O7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.