 Home > Encyclopedia > Botrydial

Botrydial

Botrydial structure

CAS No:
54986-75-3
Formula:
C17H26O5
Chemical Name:
Botrydial
Synonyms:
1H-Indene-1,7-dicarboxaldehyde,4-(acetyloxy)octahydro-7a-hydroxy-1,3,3,6-tetramethyl-,(1S,3aR,4S,6R,7S,7aS)-;1H-Indene-1,7-dicarboxaldehyde,4-(acetyloxy)octahydro-7a-hydroxy-1,3,3,6-tetramethyl-,[1S-(1α,3aα,4α,6α,7β,7aα)]-;(1S,3aR,4S,6R,7S,7aS)-4-(Acetyloxy)octahydro-7a-hydroxy-1,3,3,6-tetramethyl-1H-indene-1,7-dicarboxaldehyde;Botrydial;Botridial
Categories:
Chemical Reagents > Organic Reagents

Description

ChEBI: A cytotoxic fungal metabolite isolated from plant tissues infected by phytopathogen Botrytis cinerea.

Botrydial is a cytotoxic fungal metabolite isolated from plant tissues infected by phytopathogen Botrytis cinerea. It has a role as a mycotoxin.

Botrydial Basic Attributes

Molecular Weight：

310.38534

Exact Mass：

310.39

UNII：

2VQE1Z1G8Q

Characteristics

PSA：

80.7

XLogP3：

1.7

Density：

1.15±0.1 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

botrydial

Botrydial Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]

Computed Properties

Molecular Weight:310.4
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:310.17802393
Monoisotopic Mass:310.17802393
Topological Polar Surface Area:80.7
Heavy Atom Count:22
Complexity:499
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes