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Home > Other Heterocycles > 130353-74-1
130353-74-1 | Spiro[cyclopropane-1,2'-spirostan] (9CI)
CAS No: 130353-74-1 Catalog No: AG000UAX MDL No:
Product Description
Catalog Number:
AG000UAX
Chemical Name:
Spiro[cyclopropane-1,2'-spirostan] (9CI)
CAS Number:
130353-74-1
Molecular Formula:
C29H46O2
Molecular Weight:
426.6743
InChI:
InChI=1S/C29H46O2/c1-18-7-12-29(30-16-18)19(2)25-24(31-29)15-23-21-6-5-20-8-11-28(13-14-28)17-27(20,4)22(21)9-10-26(23,25)3/h18-25H,5-17H2,1-4H3/t18?,19-,20?,21+,22-,23-,24-,25-,26-,27-,29+/m0/s1
InChI Key:
LEJWZIDIXODTFA-INHFNDDISA-N
SMILES:
CC1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CCC3[C@]([C@H]1CC2)(C)CC1(CC3)CC1)C
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
426.35g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.685g/mol
Monoisotopic Mass:
426.35g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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