81037-22-1
Product Name:
3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,7,8-triol
Formula:
C22H33NO6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 407.5 g/mol |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 407.23078777 g/mol |
| Monoisotopic Mass | 407.23078777 g/mol |
| Topological Polar Surface Area | 94.9 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 780 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 13 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(1S,2S,4S,6S,9S,10R,11R,13S,14R,15S,16R,17R,18S)-8-ethyl-13,15-dimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol is a natural product found in Aconitum monticola and Aconitum karakolicum with data available.