(2R,3S,3aR,4aS,4bS,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-12-Chloro-3,3a,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-7,8-(Epoxymethano)-2H,6H-cyclobuta(5,6)benz(1,2-e)oxireno(4',4'a)-1-benzopyrano(5',6':6,7)indeno(1,2-b)indole-3,4b(5H)-diol
[CAS# 78213-65-7]

Identification

• Name: (2R,3S,3aR,4aS,4bS,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-12-Chloro-3,3a,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-7,8-(Epoxymethano)-2H,6H-cyclobuta(5,6)benz(1,2-e)oxireno(4',4'a)-1-benzopyrano(5',6':6,7)indeno(1,2-b)indole-3,4b(5H)-diol
• Molecular Formula: C₃₇H₄₄ClNO₅
• Molecular Weight: 618.21
• CAS Registry Number: 78213-65-7
• SMILES: [C@]17%10[C@@H]([C@@H](O)[C@H](O[C@H]1CC[C@@]8([C@]6(C2=C5C3=C([NH]2)C=C(Cl)C9=C3[C@H]4[C@H](C[C@@H]4C(O[C@H]5[C@@H]6CC[C@@]78O)(C)C)C(C9)=C)C)C)C(=C)C)O%10
• InChI: 1S/C37H44ClNO5/c1-15(2)29-28(40)32-37(44-32)23(42-29)9-10-34(6)35(7)19(8-11-36(34,37)41)30-27-26-22(39-31(27)35)14-21(38)18-12-16(3)17-13-20(24(17)25(18)26)33(4,5)43-30/h14,17,19-20,23-24,28-30,32,39-41H,1,3,8-13H2,2,4-7H3/t17-,19+,20+,23+,24+,28+,29-,30+,32-,34-,35-,36+,37+/m1/s1
• InChIKey: YWORPEZTBDVGCS-JCMMWUKFSA-N

Properties

• Density: 1.394g/cm³ (Cal.)