Candletoxin A
[CAS# 64854-99-5]

Identification

• Name: Candletoxin A
• Synonyms: Candletoxin A
• Molecular Formula: C₃₅H₄₄O₉
• Molecular Weight: 608.73
• CAS Registry Number: 64854-99-5
• SMILES: [C@H]23[C@](OC(=O)CC1=CC=CC=C1)([C@@]2(COC(=O)C(CC)C)C)C[C@H]([C@@]4(O)[C@H]3C=C(C[C@@]5(O)[C@H]4C=C(C5=O)C)COC(=O)C)C
• InChI: 1S/C35H44O9/c1-7-20(2)31(39)43-19-32(6)29-26-14-25(18-42-23(5)36)17-33(40)27(13-21(3)30(33)38)35(26,41)22(4)16-34(29,32)44-28(37)15-24-11-9-8-10-12-24/h8-14,20,22,26-27,29,40-41H,7,15-19H2,1-6H3/t20?,22-,26+,27-,29-,32-,33-,34+,35-/m1/s1
• InChIKey: RWBRLONUEAWHRE-HBLGUWCISA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 699.284°C at 760 mmHg (Cal.)
• Flash point: 214.544°C (Cal.)