 Home > Encyclopedia > 12-deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate

12-deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate

12-deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate structure

CAS No:
117855-87-5
Formula:
C44H54O8
Chemical Name:
12-deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate
Synonyms:
12-deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate

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12-deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate Basic Attributes

Molecular Weight：

710.89476

Exact Mass：

710.382

Characteristics

PSA：

130

XLogP3：

5.6

Drug Information

MeSH Entry Terms：

12-deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate

Computed Properties

Molecular Weight:710.9
XLogP3:5.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:710.38186868
Monoisotopic Mass:710.38186868
Topological Polar Surface Area:130
Heavy Atom Count:52
Complexity:1730
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12-deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate

Basic Attributes
Characteristics
Drug Information
Computed Properties

12-deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate

SDS

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