(7beta,8beta,13beta)-13-(((4-bromobenzoyl)oxy)methyl)-17-Norkaur-15-ene-7,9-diol 7-(4-bromobenzoate)
[CAS# 134513-15-8]

Identification

• Name: (7beta,8beta,13beta)-13-(((4-bromobenzoyl)oxy)methyl)-17-Norkaur-15-ene-7,9-diol 7-(4-bromobenzoate)
• Synonyms: 11,17-Bis(4-Bromobenzoyloxy)-9-Hydroxybeyerene; 11Beta,17-Bis(4-Bromobenzoyloxy)-9Beta-Hydroxy-Ent-Beyerene; 17-Norkaur-15-Ene-7,9-Diol, 13-(((4-Bromobenzoyl)Oxy)Methyl)-, 7-(4-Bromobenzoate), (7Beta,8Beta,13Beta)-
• Molecular Formula: C₃₄H₃₈Br₂O₅
• Molecular Weight: 686.48
• CAS Registry Number: 134513-15-8
• SMILES: [C@]12(CCCC([C@H]1C[C@@H](C34[C@]2(CC[C@](C3)(C=C4)COC(C5=CC=C(C=C5)Br)=O)O)OC(C6=CC=C(C=C6)Br)=O)(C)C)C
• InChI: 1S/C34H38Br2O5/c1-30(2)13-4-14-31(3)26(30)19-27(41-29(38)23-7-11-25(36)12-8-23)33-17-15-32(20-33,16-18-34(31,33)39)21-40-28(37)22-5-9-24(35)10-6-22/h5-12,15,17,26-27,39H,4,13-14,16,18-21H2,1-3H3/t26-,27+,31-,32+,33?,34-/m1/s1
• InChIKey: DNJYQSYRCGUZKV-JEKDLXOTSA-N

Properties

• Density: 1.502g/cm³ (Cal.)
• Boiling point: 696.674°C at 760 mmHg (Cal.)
• Flash point: 375.135°C (Cal.)