Basic information
- CAS
30655-48-2- Standard SMILES
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)C1- InChIKey
SASUFNRGCZMRFD-UHFFFAOYSA-N- Molecular formula
- C28H38O6
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.26683893
Overview
15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one has been reported in Tubocapsicum anomalum and Withania somnifera with data available.
Names & identifiers
- Preferred name
- 15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
- IUPAC
- 15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
- English name
- Withanolide d(p)
- Molecular formula
- C28H38O6
- Molecular weight
- 470.6
Names & synonyms
NSC179841WithanolideWithanaloidsWithanolide d(p)Ashwagandha Ayurvedichot selling ashwagandhaSouth African aubergine extractSouth Africa drunk tomato extractSouth African drunk eggplant extractSouth African alcoholic eggplant extractAshwagandha Ayurvedic Extract Withanolides
Database identifiers
- CAS
30655-48-2- PubChem CID
- 301754
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Melting point
- 253 · 253-255 °C
- Boiling point
- 663.7 · 663.7±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 13.49 · 13.49±0.70(Predicted)
- InChIKey
- SASUFNRGCZMRFD-IDDHCONTNA-N
- FDA UNII
- 366 XV8JT · XY366XV8JT
Chemistry & industry
Suppliers42 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西新阳禾生物科技有限公司18391023245 · [email protected]
湖北省文鑫生物科技有限公司+86-15387208865 +86-15387208865 · [email protected] [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
Shenzhen Varror Biotech Co., Ltd+undefined+86-15817492830 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
西安天朗源生物科技有限公司17749038280 17749038280 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]
Shandong Hanjiang Chemical Co., Ltd+86-0533-2066820 +8618369939125 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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