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(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-12',21',24'-trihydroxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1?,?.0²?,²?]pentacosane]-10',14',16',22'-tetraen-2'-one

(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-12',21',24'-trihydroxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1?,?.0²?,²?]pentacosane]-10',14',16',22'-tetraen-2'-one

CAS: 73162-95-5

Formula: C34H50O8

SMILES: [H][C@@]12OCC3=CC=C/[C@H](C)[C@H](O)C(C)=C/C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)[C@@H](C)CC)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

IUPAC: (1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-12',21',24'-trihydroxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1?,?.0²?,²?]pentacosane]-10',14',16',22'-tetraen-2'-one

InChI: InChI=1S/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8-,21-11-,24-10?/t19-,20-,22-,25+,26-,27-,28-

Composition: C (69.60%), H (8.59%), O (21.81%)

Molar Mass: 586.766

Atom Count: 92

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 12
Exact Mass 586.35056857
Formal Charge 0
FSP3 0.74
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey XOCXXEYUGYTCNG-AFVSOJIRSA-N
Lipinski's Rule of Five
Molar Refractivity 162.11
Topological Polar Surface Area 114.68
Polarizability 63.46
Ring Count 5
Rotatable Bond Count 2

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97% <14 Days 73162-95-5 $96.90-$701.76$96.90$156.06$701.76
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