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Fumitremorgin B

Fumitremorgin B structure

CAS No:
12626-17-4
Formula:
C27H33N3O5
Chemical Name:
Fumitremorgin B
Synonyms:
5H,14H-Pyrrolo[1′′,2′′:4′,5′]pyrazino[1′,2′:1,6]pyrido[3,4-b]indole-5,14-dione,1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-buten-1-yl)-12-(2-methyl-1-propen-1-yl)-,(5aR,6S,12S,14aS)-;5H,14H-Pyrrolo[1′′,2′′:4′,5′]pyrazino[1′,2′:1,6]pyrido[3,4-b]indole-5,14-dione,1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-,[5aR-(5aα,6α,12β,14aα)]-;5H,14H-Pyrrolo[1′′,2′′:4′,5′]pyrazino[1′,2′:1,6]pyrido[3,4-b]indole-5,14-dione,1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-,(5aR,6S,12S,14aS)-;(5aR,6S,12S,14aS)-1,2,3,5a,6,11,12,14a-Octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-buten-1-yl)-12-(2-methyl-1-propen-1-yl)-5H,14H-pyrrolo[1′′,2′′:4′,5′]pyrazino[1′,2′:1,6]pyrido[3,4-b]indole-5,14-dione;Fumitremorgin B;Lanosulin;NA 209B;40451-43-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Fumitremorgin B is an organic heteropentacyclic compound that is a mycotoxic indole alkaloid produced by several fungi via a tryptophan-proline diketopiperazine intermediate. It has a role as a mycotoxin. It is an organic heteropentacyclic compound and an indole alkaloid.

Fumitremorgin B Basic Attributes

Molecular Weight：

479.6 g/mol

Exact Mass：

479.57

UNII：

ITN5B384F8

Characteristics

PSA：

95.2 Å²

Melting Point：

205-207 °C

Drug Information

MeSH Entry Terms：

fumitremorgin B

Computed Properties

Molecular Weight:479.6
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:479.24202116
Monoisotopic Mass:479.24202116
Topological Polar Surface Area:95.2
Heavy Atom Count:35
Complexity:941
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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