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3-epi-isocucurbitacinB

3-epi-isocucurbitacinB structure

CAS No:
89647-62-1
Formula:
C32H46O8
Chemical Name:
3-epi-isocucurbitacinB
Synonyms:
3-epi-isocucurbitacin B;19-Norlanosta-5,23-diene-2,11,22-trione, 25-(acetyloxy)-3,16,20-trihydroxy-9-methyl-, (3β,9β,10α,16α,23E)-

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3-epi-isocucurbitacinB Basic Attributes

Molecular Weight：

558.7

Exact Mass：

558.31926842 g/mol

Characteristics

PSA：

138 Å²

Density：

1.23±0.1 g/cm3

Melting Point：

95 °C

Boiling Point：

702.4±60.0 °C(Predicted)

PKA：

12.59±0.29

Computed Properties

Molecular Weight:558.7
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:558.31926842
Monoisotopic Mass:558.31926842
Topological Polar Surface Area:138
Heavy Atom Count:40
Complexity:1210
Undefined Atom Stereocenter Count:9
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-epi-isocucurbitacinB

Basic Attributes
Characteristics
Computed Properties

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