CAS No. 27013-91-8

Molecular Formula: C42H68O12
Molecular Weight: 764.98
UN Number: 1544
WGKGermany: 3
HS Code: 29389090

Molecular Weight: 751
Molecular Formula: C41H66O12
Canonical SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(O)=O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O
InChI: 1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
InChIKey: KBKXVOJBOOKRQW-OGHMGUQHSA-N
Boiling Point: 849.6±65.0 °C(Predicted)
Melting Point: 215°C (dec.)
Purity: >=98%
Solubility: DMSO : ≥ 100 mg/mL (133.16 mM)
Application: anti-inflammatory activity; molluscicidal activity and antifungal activity
Storage: Sealed in dry,2-8°C
Synonyms: (3-beta,4-alpha)-nopyranosyl)oxy)-23-hydroxy;
Description
α-Hederin isolated from the herbs of Hedera nepalensis. It is a haemolytic agent.


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