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151519-45-8 | 2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 3-(acetyloxy)-4-[(acetyloxy)methyl]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-4-[(1-oxopropoxy)methyl]-9-(3-pyridinyl)-, (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-
CAS No: 151519-45-8 Catalog No: AG001NEI MDL No:
Product Description
Catalog Number:
AG001NEI
Chemical Name:
2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 3-(acetyloxy)-4-[(acetyloxy)methyl]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-4-[(1-oxopropoxy)methyl]-9-(3-pyridinyl)-, (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-
CAS Number:
151519-45-8
Molecular Formula:
C32H39NO10
Molecular Weight:
597.6528
IUPAC Name:
[(1S,2S,5S,7R,10S,18R)-5-acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,10-dimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl]methyl propanoate
InChI:
InChI=1S/C32H39NO10/c1-6-25(36)40-17-32(16-39-18(2)34)23-9-12-31(5)28(30(23,4)11-10-24(32)41-19(3)35)27(37)26-22(43-31)14-21(42-29(26)38)20-8-7-13-33-15-20/h7-8,13-15,23-24,27-28,37H,6,9-12,16-17H2,1-5H3/t23-,24+,27+,28-,30+,31+,32?/m1/s1
InChI Key:
CHNDKXSVDUZFCZ-DNVGYTOISA-N
SMILES:
CCC(=O)OCC1(COC(=O)C)[C@H](CC[C@]2([C@H]1CC[C@]1([C@@H]2[C@@H](O)c2c(O1)cc(oc2=O)c1cccnc1)C)C)OC(=O)C
Properties
Complexity:
1230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
597.257g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
597.661g/mol
Monoisotopic Mass:
597.257g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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