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Kansuinin B

Kansuinin B structure

CAS No:
57685-46-8
Formula:
C38H42O14
Chemical Name:
Kansuinin B
Synonyms:
2H-Cyclopenta[5,6]cyclododec[1,2-b]oxirene-3,11(1aH,4H)-dione,8,10a-bis(acetyloxy)-5,7-bis(benzoyloxy)decahydro-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-,(1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-;2H-Cyclopenta[5,6]cyclododec[1,2-b]oxirene-3,11(1aH,4H)-dione,8,10a-bis(acetyloxy)-5,7-bis(benzoyloxy)decahydro-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-,[1aS-(1aR*,4S*,5R*,7S*,7aR*,8S*,9S*,10R*,10aR*,12R*,12aR*)]-;(1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-Bis(acetyloxy)-5,7-bis(benzoyloxy)decahydro-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-2H-cyclopenta[5,6]cyclododec[1,2-b]oxirene-3,11(1aH,4H)-dione;Kansuinin B;Kansuinine B
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Kansuinine B is a benzoate ester.

Kansuinin B Basic Attributes

Molecular Weight：

722.7 g/mol

Exact Mass：

722.73

DSSTox ID：

DTXSID80331728

Characteristics

PSA：

213 Å²

Drug Information

MeSH Entry Terms：

kansuinin B

Computed Properties

Molecular Weight:722.7
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:10
Exact Mass:722.25745601
Monoisotopic Mass:722.25745601
Topological Polar Surface Area:213
Heavy Atom Count:52
Complexity:1460
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes