3-Methyl-2-butenoic acid (3S,3aα,7aα,9aα)-dodecahydro-7α-hydroxy-3β,4aβ,8α-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4α-yl ester (CAS 6805-36-3) — formula C20H28O6, molecular weight 364.4; category organic chemicals.
| CAS Number | 6805-36-3 |
|---|---|
| Molecular Formula | C20H28O6 |
| Molecular Weight | 364.4 |
| LogP | 2.5 |
| Category | Organic Chemicals |
3-Methyl-2-butenoic acid (3S,3aα,7aα,9aα)-dodecahydro-7α-hydroxy-3β,4aβ,8α-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4α-yl ester is a carbon-based organic compound with CAS registry number 6805-36-3 and molecular formula C20H28O6 (molecular weight 364.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6805-36-3
Its molecular formula C20H28O6 comprises 20 C, 28 H, 6 O atoms.
Also known as: 3-Methyl-2-butenoic acid (3S,3aα,7aα,9aα)-dodecahydro-7α-hydroxy-3β,4aβ,8α-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4α-yl ester · 3-甲基-2-丁烯酸 (3S,3aα,7aα,9aα)-十二氢-7α-羟基-3β,4aβ,8α-三甲基-2,5-二氧薁[6,5-b]呋喃-4α-基酯
Category: organic chemicals
The CAS registry number of 3-Methyl-2-butenoic acid (3S,3aα,7aα,9aα)-dodecahydro-7α-hydroxy-3β,4aβ,8α-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4α-yl ester is 6805-36-3.
Molecular formula C20H28O6, molecular weight 364.4.
It is also registered under: 3-Methyl-2-butenoic acid (3S,3aα,7aα,9aα)-dodecahydro-7α-hydroxy-3β,4aβ,8α-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4α-yl ester, 3-甲基-2-丁烯酸 (3S,3aα,7aα,9aα)-十二氢-7α-羟基-3β,4aβ,8α-三甲基-2,5-二氧薁[6,5-b]呋喃-4α-基酯.
Category: Organic Chemicals.
Independent reference data for 3-Methyl-2-butenoic acid (3S,3aα,7aα,9aα)-dodecahydro-7α-hydroxy-3β,4aβ,8α-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4α-yl ester (CAS 6805-36-3), compiled from public chemistry databases.
| CAS 号 | 6805-36-3 |
|---|---|
| PubChem CID | 73411 |
| 分子式 | C20H28O6 |
| IUPAC 名称 | [(1S,3aR,5R,5aS,6S,8aR,9S,9aR)-6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate |
| UNII（FDA） | 3QD11410IV |
| Molecular Weight | 364.4 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 364.18858861 |
| Monoisotopic Mass | 364.18858861 |
| Topological Polar Surface Area | 89.9 |
| Heavy Atom Count | 26 |
Flexuosin B; 6805-36-3; FLEXUOSINE B; 3QD11410IV; NSC 85248; UNII-3QD11410IV; NSC-85248; AMBROSAN-12-OIC ACID, 2.ALPHA.,6.ALPHA.,8.BETA.-TRIHYDROXY-4-OXO-, 12,8-LACTONE, 6-(3-METHYLCROTONATE); RefChem:140705; AMBROSAN-12-OIC ACID, 2ALPHA,6ALPHA,8BETA-TRIHYDROXY-4-OXO-, 12,8-LACTONE, 6-(3-METHYLCROTONATE); Flexuosin-B; MLS000728539; CHEMBL1392543; HMS2222A05; SMR000445652
3-甲基-2-丁烯酸 (3S,3aα,7aα,9aα)-十二氢-7α-羟基-3β,4aβ,8α-三甲基-2,5-二氧薁[6,5-b]呋喃-4α-基酯 · CAS 6805-36-3 · C20H28O6. UNII 3QD11410IV.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基-2-丁烯酸 (3S,3aα,7aα,9aα)-十二氢-7α-羟基-3β,4aβ,8α-三甲基-2,5-二氧薁[6,5-b]呋喃-4α-基酯