Structure

Acoforestinine

CAS
110011-77-3
Catalog Number
ACM110011773
Category
Other Products
Molecular Weight
645.8

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Specification

Synonyms
8-O-Ethylyunaconitine
InChI
InChI=1S/C35H51NO10/c1-8-36-17-32(18-40-3)22(37)14-23(42-5)35-21-15-33(39)24(43-6)16-34(45-9-2,26(29(35)36)27(44-7)28(32)35)25(21)30(33)46-31(38)19-10-12-20(41-4)13-11-19/h10-13,21-30,37,39H,8-9,14-18H2,1-7H3
InChI Key
YBCOIJNAMJAFSO-UHFFFAOYSA-N
Melting Point
99-101 °C
Complexity
1150
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Exact Mass
645.35129682
Heavy Atom Count
46
Hydrogen Bond Acceptor Count
11
Hydrogen Bond Donor Count
2
Monoisotopic Mass
645.35129682
Physical State
Powder
Rotatable Bond Count
12
Topological Polar Surface Area
125 Ų
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