(1R,8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-Hydroxy-3-Methoxycyclohexyl]-2-Propanyl}-18,29-Dimethoxy-14,16,20,22,28,34-Hexamethyl-10,35-Dioxa-4- Azatricyclo[29.3.1.0^4,8]Pentatriaconta-15,23,25,27-Tetraene-2,3,9,13,19-Pentone
[CAS# 156223-31-3]

Identification

• Name: (1R,8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-Hydroxy-3-Methoxycyclohexyl]-2-Propanyl}-18,29-Dimethoxy-14,16,20,22,28,34-Hexamethyl-10,35-Dioxa-4- Azatricyclo[29.3.1.0^4,8]Pentatriaconta-15,23,25,27-Tetraene-2,3,9,13,19-Pentone
• Synonyms: (1R,8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4- azatricyclo[29.3.1.0^4,8]pentatriaconta-15,23,25,27-tetraen-2,3,9,13,19-penton; (1R,8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4- azatricyclo[29.3.1.0^4,8]pentatriaconta-15,23,25,27-tetraene-2,3,9,13,19-pentone; (1R,8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-2-propanyl}-18,29-diméthoxy-14,16,20,22,28,34-hexaméthyl-10,35-dioxa-4- azatricyclo[29.3.1.0^4,8]pentatriaconta-15,23,25,27-tétraène-2,3,9,13,19-pentone
• Molecular Formula: C₅₀H₇₇NO₁₃
• Molecular Weight: 900.15
• CAS Registry Number: 156223-31-3
• SMILES: C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC
• InChI: 1S/C50H77NO13/c1-29-15-12-11-13-16-30(2)41(60-8)27-37-20-18-35(7)50(59,64-37)47(56)48(57)51-22-14-17-38(51)49(58)63-42(32(4)25-36-19-21-39(52)43(26-36)61-9)28-40(53)31(3)24-34(6)45(55)46(62-10)44(54)33(5)23-29/h11-13,15-16,24,29,31-33,35-39,41-43,45-46,52,55,59H,14,17-23,25-28H2,1-10H3/b13-11+,15-12+,30-16+,34-24+/t29-,31-,32-,33-,35-,36+,37+,38+,39-,41+,42+,43-,45-,46+,50-/m1/s1
• InChIKey: RUAWAUYKGXTUTF-QDURWKQPSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 965.6±75.0°C at 760 mmHg (Cal.)
• Flash point: 537.8±37.1°C (Cal.)
• Refractive index: 1.552 (Cal.)