3-Oxo-11α,12α-epoxyoleanan-28,13β-olide

Catalog	BBC185051756
CAS	185051-75-6
Synonyms	11,12-Epoxy-3-oxo-28,13-oleananolide
IUPAC Name	(1S,2S,4S,5R,6S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
Molecular Weight	468.68
Molecular Formula	C30H44O4
Canonical SMILES	C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2[C@H]4[C@H](O4)[C@@]56[C@]3(CC[C@@]7([C@H]5CC(CC7)(C)C)C(=O)O6)C)C)(C)C
InChI	InChI=1S/C30H44O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-17-25(3,4)19(31)9-10-26(17,5)21(27)20-22(33-20)30(28,18(29)16-24)34-23(29)32/h17-18,20-22H,8-16H2,1-7H3/t17-,18+,20-,21+,22-,26-,27+,28-,29-,30+/m0/s1
InChI Key	ATQBPBZOVWXRTA-PNZWHSTPSA-N
Boiling Point	578.4±50.0 °C
Purity	98%
Density	1.17±0.1 g/ml
Appearance	Powder