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19902-63-7 | 1H-Cyclohepta[1,2-a:5,4-a']dinaphthalen-3-ol, 2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-11-methoxy-4,4,7a,10,10,13a,15b-heptamethyl-, (3R,4aS,7aS,9aR,11R,13aR,13bS,15aR,15bR)-
CAS No: 19902-63-7 Catalog No: AG002BW7 MDL No:
Product Description
Catalog Number:
AG002BW7
Chemical Name:
1H-Cyclohepta[1,2-a:5,4-a']dinaphthalen-3-ol, 2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-11-methoxy-4,4,7a,10,10,13a,15b-heptamethyl-, (3R,4aS,7aS,9aR,11R,13aR,13bS,15aR,15bR)-
CAS Number:
19902-63-7
Molecular Formula:
C31H52O2
Molecular Weight:
456.7434
IUPAC Name:
19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-ol
InChI:
InChI=1S/C31H52O2/c1-27(2)22-11-9-20-19-29(5)16-13-23-28(3,4)26(33-8)15-18-31(23,7)24(29)12-10-21(20)30(22,6)17-14-25(27)32/h9,21-26,32H,10-19H2,1-8H3
InChI Key:
HADVFQOSVABMHT-UHFFFAOYSA-N
SMILES:
CO[C@@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@@H]2C(=CC[C@H]3[C@]2(C)CC[C@H](C3(C)C)O)C1)C)C
Properties
Complexity:
810
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.397g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
456.755g/mol
Monoisotopic Mass:
456.397g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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