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(1α,6β,14α,16β)-20-Ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-[methylenebis(oxy)]aconitan-6-ol

(1α,6β,14α,16β)-20-Ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-[methylenebis(oxy)]aconitan-6-ol structure

CAS No:
52358-55-1
Formula:
C26H41NO7
Chemical Name:
(1α,6β,14α,16β)-20-Ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-[methylenebis(oxy)]aconitan-6-ol
Synonyms:
Aconitan-6-ol,20-ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-[methylenebis(oxy)]-,(1α,6β,14α,16β)-;9H-14b,8a,12-Ethanylylidene-6,8-methano-8aH-1,3-dioxolo[1,8a]naphth[2,3-b]azocine,aconitan-6-ol deriv.;(1α,6β,14α,16β)-20-Ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-[methylenebis(oxy)]aconitan-6-ol;Delcorine;(-)-Delcorine

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Description

Delcorine is a diterpenoid.

(1α,6β,14α,16β)-20-Ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-[methylenebis(oxy)]aconitan-6-ol Basic Attributes

Molecular Weight：

479.61

Exact Mass：

479.61

DSSTox ID：

DTXSID50331614

Characteristics

PSA：

78.8

XLogP3：

1.22860

Appearance：

solid

Density：

1.29g/cm3

Boiling Point：

586.6ºC at 760 mmHg

Flash Point：

308.5ºC

Refractive Index：

1.583

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 1544 6.1/PG 2

wgk germany：

safety instructions：

22-36/37/39-45

Computed Properties

Molecular Weight:479.6
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:479.28830265
Monoisotopic Mass:479.28830265
Topological Polar Surface Area:78.8
Heavy Atom Count:34
Complexity:859
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1α,6β,14α,16β)-20-Ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-[methylenebis(oxy)]aconitan-6-ol

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

(1α,6β,14α,16β)-20-Ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-[methylenebis(oxy)]aconitan-6-ol

SDS

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