 Home > Encyclopedia > (1S,6aR,9aS)-2,3,6a,9a-Tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one

(1S,6aR,9aS)-2,3,6a,9a-Tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one

(1S,6aR,9aS)-2,3,6a,9a-Tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one structure

CAS No:
29611-03-8
Formula:
C17H14O6
Chemical Name:
(1S,6aR,9aS)-2,3,6a,9a-Tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one
Synonyms:
Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one,2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-,(1S,6aR,9aS)-;Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one,2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-;Cyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one,2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-,[1S-(1α,6aβ,9aβ)]-;(1S,6aR,9aS)-2,3,6a,9a-Tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one;Aflatoxicol;Aflatoxin R0;30811-08-6;40009-64-1

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Description

Aflatoxin (Aflatoxin R0) is a metabolite of aflatoxin B1 produced from Rhizopus spp[1], and is mutagenic and carcinogenic mycotoxin[2].

(1S,6aR,9aS)-2,3,6a,9a-Tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one Basic Attributes

Molecular Weight：

314.28946

Exact Mass：

314.29

EC Number：

249-727-7

UNII：

45I1K5482V

DSSTox ID：

DTXSID4020034

HScode：

29419090

Characteristics

PSA：

78.13000

XLogP3：

2.12720

Density：

1.56g/cm3

Melting Point：

225°C

Boiling Point：

552.1ºC at 760mmHg

Flash Point：

210.2ºC

Refractive Index：

1.698

Storage Conditions：

2-8°C

Vapor Pressure：

5.02E-13mmHg at 25°C

Safety Information

Hazard category：

6.1(a)

Transport codes：

3172

hazard class code：

45-46-61-26/27/28

safety instructions：

53-22-36/37/39-45

Marks：

T+

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P262, P264, P270, P271, P280, P281, P284, P301+P310, P302+P350, P304+P340, P308+P313, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)

MeSH Entry Terms：

aflatoxicol

Computed Properties

Molecular Weight:314.29
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:314.07903816
Monoisotopic Mass:314.07903816
Topological Polar Surface Area:74.2
Heavy Atom Count:23
Complexity:610
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,6aR,9aS)-2,3,6a,9a-Tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

(1S,6aR,9aS)-2,3,6a,9a-Tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3′,2′:4,5]furo[2,3-h][1]benzopyran-11(1H)-one

SDS

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