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1000995-48-1 | 16H-1,24,17a,15-[1]Propanyliden[3]ylidyne-14H,17aH-cyclopropa[r]cyclopropa[1,2]furo[3',2':6,7]acenaphtho[4,5-u][1,5,10,15]tetraoxacyclodocosin-4,9,12,16,19(2H,7H)-pentone, 1,10,11,20a,21,21a,21b,22,22a,22b,23,23a,24,24a,25,25a-hexadecahydro-1,20a,21,22b-tetrahydroxy-5,18,21a,24-tetramethyl-, (1S,5E,17aR,20aS,21R,21aS,21bR,22aS,22bS,23aS,24S,24aR,25aS,26R)-
CAS No: 1000995-48-1 Catalog No: AG0000WW MDL No:
Product Description
Catalog Number:
AG0000WW
Chemical Name:
16H-1,24,17a,15-[1]Propanyliden[3]ylidyne-14H,17aH-cyclopropa[r]cyclopropa[1,2]furo[3',2':6,7]acenaphtho[4,5-u][1,5,10,15]tetraoxacyclodocosin-4,9,12,16,19(2H,7H)-pentone, 1,10,11,20a,21,21a,21b,22,22a,22b,23,23a,24,24a,25,25a-hexadecahydro-1,20a,21,22b-tetrahydroxy-5,18,21a,24-tetramethyl-, (1S,5E,17aR,20aS,21R,21aS,21bR,22aS,22bS,23aS,24S,24aR,25aS,26R)-
CAS Number:
1000995-48-1
IUPAC Name:
(1S,2S,4S,5S,7R,8S,9R,10S,16R,28E,33S,34S,36R,37R)-4,9,10,33-tetrahydroxy-1,8,13,29-tetramethyl-11,17,21,26,31-pentaoxadecacyclo[17.17.3.14,8.02,16.05,7.010,14.016,39.033,37.034,36.015,40]tetraconta-13,15(40),19(39),28-tetraene-12,18,22,25,30-pentone
InChI:
InChI=1S/C39H42O14/c1-15-7-8-49-25(40)5-6-26(41)50-13-17-18-11-23-34(3,19-9-22(19)37(23,47)14-51-30(15)42)24-12-36(46)21-10-20(21)35(4)29(36)28(38(18,24)52-32(17)44)27-16(2)31(43)53-39(27,48)33(35)45/h7,19-24,33,45-48H,5-6,8-14H2,1-4H3/b15-7+/t19-,20-,21+,22+,23-,24+,33-,34+,35+,36+,37+,38+,39+/m1/s1
InChI Key:
VAOZXVGMCZGLOH-BQPKVCGRSA-N
Properties
Complexity:
2020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
13
Defined Bond Stereocenter Count:
1
Exact Mass:
734.257g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
734.751g/mol
Monoisotopic Mass:
734.257g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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