3,4-Seco-Olean-12-En-4-Ol-3,28-Dioic Acid
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3,4-Seco-Olean-12-En-4-Ol-3,28-Dioic Acid

CAS 182249-69-0
IUPAC Name (1R,2R,4aR,4bS,6aS,10aS,12aR)-1-(2-carboxyethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9,9-pentamethyl-3,4,5,6,7,8,10,10a,12,12a-decahydro-2H-chrysene-6a-carboxylic acid
Molecular Weight 488.7
Molecular Formula C30H48O5
Canonical SMILES C[C@@]12CC[C@H]([C@]([C@H]1CC=C3[C@]2(CC[C@@]4([C@H]3CC(CC4)(C)C)C(=O)O)C)(C)CCC(=O)O)C(C)(C)O
InChI InChI=1S/C30H48O5/c1-25(2)14-16-30(24(33)34)17-15-28(6)19(20(30)18-25)8-9-22-27(5,12-11-23(31)32)21(26(3,4)35)10-13-29(22,28)7/h8,20-22,35H,9-18H2,1-7H3,(H,31,32)(H,33,34)/t20-,21-,22+,27-,28+,29+,30-/m0/s1
InChI Key HBMBVLYBFSJKDN-FUAOEXFOSA-N
Boiling Point 617.6±25.0 °C
Melting Point >250 °C
Purity 98%
Density 1.14±0.1 g/ml
Appearance Solid

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