dipotassium dihydrogen 15alpha-hydroxy-2beta-[[2-O-isovaleryl-3,4-di-O-sulphonato-beta-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioate (CAS 33286-30-5) — formula C31H46O18S2, molecular weight 770.8; category organic chemicals.
| CAS Number | 33286-30-5 |
|---|---|
| Molecular Formula | C31H46O18S2 |
| Molecular Weight | 770.8 |
| LogP | 0.8 |
| Category | Organic Chemicals |
dipotassium dihydrogen 15alpha-hydroxy-2beta-[[2-O-isovaleryl-3,4-di-O-sulphonato-beta-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioate is a carbon-based organic compound with CAS registry number 33286-30-5 and molecular formula C31H46O18S2 (molecular weight 770.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 33286-30-5
Its molecular formula C31H46O18S2 comprises 31 C, 46 H, 18 O, 2 S atoms.
Also known as: dipotassium dihydrogen 15alpha-hydroxy-2beta-[[2-O-isovaleryl-3,4-di-O-sulphonato-beta-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioate · (2S,4aS,6aR,7S,9R,11aS,11bS)-7-羟基-2-(((2R,3R,4R,5R,6R)-6-(羟甲基)-3-((3-甲基丁酰基)氧基)-4,5-双(磺氧基)四氢-2H-吡喃-2-基)氧基)-11b-甲基-8-亚甲基十二氢-6a,9-甲桥环庚并[a]萘-4,4(4aH)-二羧酸二钾盐
Category: organic chemicals
The CAS registry number of dipotassium dihydrogen 15alpha-hydroxy-2beta-[[2-O-isovaleryl-3,4-di-O-sulphonato-beta-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioate is 33286-30-5.
Molecular formula C31H46O18S2, molecular weight 770.8.
It is also registered under: dipotassium dihydrogen 15alpha-hydroxy-2beta-[[2-O-isovaleryl-3,4-di-O-sulphonato-beta-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioate, (2S,4aS,6aR,7S,9R,11aS,11bS)-7-羟基-2-(((2R,3R,4R,5R,6R)-6-(羟甲基)-3-((3-甲基丁酰基)氧基)-4,5-双(磺氧基)四氢-2H-吡喃-2-基)氧基)-11b-甲基-8-亚甲基十二氢-6a,9-甲桥环庚并[a]萘-4,4(4aH)-二羧酸二钾盐.
Category: Organic Chemicals.
Independent reference data for dipotassium dihydrogen 15alpha-hydroxy-2beta-[[2-O-isovaleryl-3,4-di-O-sulphonato-beta-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioate (CAS 33286-30-5), compiled from public chemistry databases.
| CAS 号 | 33286-30-5 |
|---|---|
| PubChem CID | 20055804 |
| 分子式 | C31H46O18S2 |
| IUPAC 名称 | (1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid |
| UNII（FDA） | SNP1XL23E6 |
| Molecular Weight | 770.8 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 13 |
| Exact Mass | 770.21255696 |
| Monoisotopic Mass | 770.21255696 |
| Topological Polar Surface Area | 304 |
| Heavy Atom Count | 51 |
Carboxyatractyloside; 33286-30-5; 77228-71-8; CATR; Gummiferin; SNP1XL23E6; GTPL4572; orb1299157; SCHEMBL1612956; CHEBI:189512; HY-N1502; AKOS040759324; DA-63971; CS-0017047; T8170; C-4992
| 已通报的危害声明 | H301, H311, H331 (100%) |
|---|
(2S,4aS,6aR,7S,9R,11aS,11bS)-7-羟基-2-(((2R,3R,4R,5R,6R)-6-(羟甲基)-3-((3-甲基丁酰基)氧基)-4,5-双(磺氧基)四氢-2H-吡喃-2-基)氧基)-11b-甲基-8-亚甲基十二氢-6a,9-甲桥环庚并[a]萘-4,4(4aH)-二羧酸二钾盐 · CAS 33286-30-5 · C31H46O18S2. UNII SNP1XL23E6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.