(2S,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [[(7R)-5,6,7,7aα-tetrahydro-7β-[(E)-2-methyl-2-butenoyloxy]-3H-pyrrolizin]-1-ylmethyl] ester (CAS 82535-76-0) — formula C20H31NO6, molecular weight 381.5; category organic chemicals.
| CAS Number | 82535-76-0 |
|---|---|
| Molecular Formula | C20H31NO6 |
| Molecular Weight | 381.5 |
| LogP | 1.3 |
| Category | Organic Chemicals |
(2S,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [[(7R)-5,6,7,7aα-tetrahydro-7β-[(E)-2-methyl-2-butenoyloxy]-3H-pyrrolizin]-1-ylmethyl] ester is a carbon-based organic compound with CAS registry number 82535-76-0 and molecular formula C20H31NO6 (molecular weight 381.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 82535-76-0
Its molecular formula C20H31NO6 comprises 20 C, 31 H, 1 N, 6 O atoms.
Also known as: (2S,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [[(7R)-5,6,7,7aα-tetrahydro-7β-[(E)-2-methyl-2-butenoyloxy]-3H-pyrrolizin]-1-ylmethyl] ester · (2S,3R)-2,3-二羟基-2-异丙基丁酸[[(7R)-5,6,7,7aα-四氢-7β-[(E)-2-甲基-2-丁烯酰氧基]-3H-吡咯嗪]-1-基甲基]酯
Category: organic chemicals
The CAS registry number of (2S,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [[(7R)-5,6,7,7aα-tetrahydro-7β-[(E)-2-methyl-2-butenoyloxy]-3H-pyrrolizin]-1-ylmethyl] ester is 82535-76-0.
Molecular formula C20H31NO6, molecular weight 381.5.
It is also registered under: (2S,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [[(7R)-5,6,7,7aα-tetrahydro-7β-[(E)-2-methyl-2-butenoyloxy]-3H-pyrrolizin]-1-ylmethyl] ester, (2S,3R)-2,3-二羟基-2-异丙基丁酸[[(7R)-5,6,7,7aα-四氢-7β-[(E)-2-甲基-2-丁烯酰氧基]-3H-吡咯嗪]-1-基甲基]酯.
Category: Organic Chemicals.
Independent reference data for (2S,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [[(7R)-5,6,7,7aα-tetrahydro-7β-[(E)-2-methyl-2-butenoyloxy]-3H-pyrrolizin]-1-ylmethyl] ester (CAS 82535-76-0), compiled from public chemistry databases.
| CAS 号 | 82535-76-0 |
|---|---|
| PubChem CID | 6440700 |
| 分子式 | C20H31NO6 |
| IUPAC 名称 | [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate |
| UNII（FDA） | 755V48P1HV |
| Molecular Weight | 381.5 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 381.21513771 |
| Monoisotopic Mass | 381.21513771 |
| Topological Polar Surface Area | 96.3 |
| Heavy Atom Count | 27 |
Myoscorpine; 82535-76-0; UNII-755V48P1HV; 755V48P1HV; 7-TIGLOYLINTERMEDINE; DTXSID00231837; RefChem:42504; DTXCID30154328; orb1992438; AKOS040734295; T124151; Q27266347
(2S,3R)-2,3-二羟基-2-异丙基丁酸[[(7R)-5,6,7,7aα-四氢-7β-[(E)-2-甲基-2-丁烯酰氧基]-3H-吡咯嗪]-1-基甲基]酯 · CAS 82535-76-0 · C20H31NO6. UNII 755V48P1HV.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (2S,3R)-2,3-二羟基-2-异丙基丁酸[[(7R)-5,6,7,7aα-四氢-7β-[(E)-2-甲基-2-丁烯酰氧基]-3H-吡咯嗪]-1-基甲基]酯