(3Z)-3-[2-[(3R)-3-[2-[(1S,3'S,4S)-1-Hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one

Base Information

• Chemical Name: (3Z)-3-[2-[(3R)-3-[2-[(1S,3'S,4S)-1-Hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one
• CAS No.: 123746-67-8
• Molecular Formula: C30H46 O6
• Molecular Weight: 502.6826
• Wikidata: Q110185668
• Mol file: 123746-67-8.mol

Synonyms:saponaceolide B

Chemical Property of (3Z)-3-[2-[(3R)-3-[2-[(1S,3'S,4S)-1-Hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 502.32943918
• Heavy Atom Count: 36
• Complexity: 936

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(CCC(=C)C1CC=C2CCOC2=O)CCC3CCC4(C5(CCC(O4)(C(O5)(C)C)O)C)OC3)C
• Isomeric SMILES: C[C@@]12CC[C@@](C(O1)(C)C)(OC23CC[C@@H](CO3)CC[C@@H]4CCC(=C)C(C4(C)C)C/C=C\5/CCOC5=O)O