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Arvenin I - ≥95% , CAS No.65247-27-0
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
| Canonical Smiles | CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O |
|---|---|
| IUPAC Name | [(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate |
| InChIKey | PQOVWWZVVIGRPP-BBANTJNRSA-N |
| INCHI | 1S/C38H56O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-13,20-24,27-30,32,39,41,44-46,48H,11,14-17H2,1-9H3/b13-12+/t20-,21-,22+,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1 |
| Isomeric SMILES | CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O |
| Alternate CAS | 65247-27-0 |
| PubChem CID | 6441104 |
| MeSH Entry Terms | arvenin I |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
- Class Steroids and steroid derivatives
- Subclass Steroidal glycosides
- Level5 Steroidal saponins
- Level6 Cucurbitacin glycosides
- Level5 Steroidal saponins
- Subclass Steroidal glycosides
- Class Steroids and steroid derivatives
- Superclass Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Steroidal glycosides |
| Intermediate Tree Nodes | Steroidal saponins |
| Direct Parent | Cucurbitacin glycosides |
| Alternative Parents | Triterpenoids Cucurbitacins Steroid esters 11-oxosteroids 14-alpha-methylsteroids 16-alpha-hydroxysteroids 3-oxo delta-5-steroids Delta-5-steroids Hexoses O-glycosyl compounds Oxanes Acyloins Tertiary alcohols Acryloyl compounds Alpha-hydroxy ketones Enones Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Cyclic ketones Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Polyols Organic oxides Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Cucurbitacin glycoside skeleton - Triterpenoid - Cucurbitacin skeleton - 22-oxosteroid - 21-oxosteroid - Steroid ester - 20-hydroxysteroid - 3-oxo-delta-5-steroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - Oxosteroid - 11-oxosteroid - 3-oxosteroid - Delta-5-steroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Acyloin - Oxane - Monosaccharide - Acryloyl-group - Alpha-hydroxy ketone - Cyclic alcohol - Enone - Alpha,beta-unsaturated ketone - Tertiary alcohol - Secondary alcohol - Ketone - Cyclic ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 720.800 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 9 |
| Exact Mass | 720.372 Da |
| Monoisotopic Mass | 720.372 Da |
| Topological Polar Surface Area | 217.000 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1520.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 14 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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