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42273-05-2 | OLEAN-12-ENO[3,2-C]ISOXAZOL-28-OIC ACID METHYL ESTER
CAS No: 42273-05-2 Catalog No: AG00C8TL MDL No:
Product Description
Catalog Number:
AG00C8TL
Chemical Name:
OLEAN-12-ENO[3,2-C]ISOXAZOL-28-OIC ACID METHYL ESTER
CAS Number:
42273-05-2
IUPAC Name:
methyl (1R,2S,5S,10S,15R)-1,2,8,8,15,22,22-heptamethyl-19-oxa-20-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17,20-triene-5-carboxylate
InChI:
InChI=1S/C32H47NO3/c1-27(2)13-15-32(26(34)35-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20-19-36-33-25(20)28(3,4)23(29)11-12-31(24,30)7/h9,19,22-24H,10-18H2,1-8H3/t22-,23?,24?,29-,30+,31+,32-/m0/s1
InChI Key:
KGRUVADREYTUHF-XSVYCTRFSA-N
Properties
Complexity:
984
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
493.356g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
493.732g/mol
Monoisotopic Mass:
493.356g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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