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6771-34-2 | (2s,4as,4bs,6as,6br,9as,10as,10br,12as)-2-ethoxy-4a,6a-dimethylhexadecahydro-1h-naphtho[2',1':4,5]indeno[1,2-d][1,3,2]dioxaborol-8-ol
CAS No: 6771-34-2 Catalog No: AG005QDV MDL No:
Product Description
Catalog Number:
AG005QDV
Chemical Name:
(2s,4as,4bs,6as,6br,9as,10as,10br,12as)-2-ethoxy-4a,6a-dimethylhexadecahydro-1h-naphtho[2',1':4,5]indeno[1,2-d][1,3,2]dioxaborol-8-ol
CAS Number:
6771-34-2
Molecular Formula:
C21H35BO4
Molecular Weight:
362.3112
IUPAC Name:
(1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-ethoxy-6-hydroxy-9,13-dimethyl-5,7-dioxa-6-borapentacyclo[10.8.0.02,9.04,8.013,18]icosane
InChI:
InChI=1S/C21H35BO4/c1-4-24-14-7-9-20(2)13(11-14)5-6-15-16(20)8-10-21(3)17(15)12-18-19(21)26-22(23)25-18/h13-19,23H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1
InChI Key:
RHGZNNOBMYWNIZ-AFYPPJMBSA-N
SMILES:
CCO[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]1[C@@H]2OB(O1)O)C)C
NSC Number:
82007
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
362.263g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.317g/mol
Monoisotopic Mass:
362.263g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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