 Home > Encyclopedia > (8S,9S)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-3,4,6,9,12-pentol

(8S,9S)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-3,4,6,9,12-pentol

(8S,9S)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-3,4,6,9,12-pentol structure

CAS No:
204644-72-4
Formula:
C28H20O9
Chemical Name:
(8S,9S)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-3,4,6,9,12-pentol
Synonyms:
Malibotal B;204644-72-4;Benzo(6,7)cycloheptal(1,2,3-cd)benzofuran-4,6,8-10,11-pentol, 1-(3,4-dihydroxyphenyl)-6,7-dihydro-7-(4-hydroxyphenyl)-, cis-(-);Benzo[6,7]cycloheptal[1,2,3-cd]benzofuran-4,6,8-10,11-pentol, 1-(3,4-dihydroxyphenyl)-6,7-dihydro-7-(4-hydroxyphenyl)-, cis-(-);DTXSID40174431;NSC704110;NSC-704110;(3,4-dihydroxyphenyl)-(4-hydroxyphenyl)[?]pentol;1-(3,4-Dihydroxyphenyl)-7beta-(4-hydroxyphenyl)-6,7-dihydro-2-oxa-2H-dibenz[cd,h]azulene-4,6beta,8,10,11-pentol

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(8S,9S)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-3,4,6,9,12-pentol Basic Attributes

Molecular Weight：

500.5 g/mol

Exact Mass：

500.11073221 g/mol

NSC Number：

704110

DSSTox ID：

DTXSID40174431

Characteristics

PSA：

175 Å²

Computed Properties

Molecular Weight:500.5
XLogP3:3.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:500.11073221
Monoisotopic Mass:500.11073221
Topological Polar Surface Area:175
Heavy Atom Count:37
Complexity:805
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (8S,9S)-16-(3,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-3,4,6,9,12-pentol

Basic Attributes
Characteristics
Computed Properties

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