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19902-60-4 | 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-, acetate, (3R,4aS,7aS,9aR,11S,13aR,13bS,15aR,15bR)-
CAS No: 19902-60-4 Catalog No: AG002BW8 MDL No:
Product Description
Catalog Number:
AG002BW8
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-, acetate, (3R,4aS,7aS,9aR,11S,13aR,13bS,15aR,15bR)-
CAS Number:
19902-60-4
Molecular Formula:
C33H54O3
Molecular Weight:
498.7801
IUPAC Name:
(19-methoxy-1,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl) acetate
InChI:
InChI=1S/C33H54O3/c1-21(34)36-28-16-18-32(7)23-11-13-26-31(6,20-22(23)10-12-24(32)30(28,4)5)17-14-25-29(2,3)27(35-9)15-19-33(25,26)8/h10,23-28H,11-20H2,1-9H3
InChI Key:
SUFSTXHWPMIZLJ-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)OC(=O)C)C1)C)C
NSC Number:
129990
Properties
Complexity:
916
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.407g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.792g/mol
Monoisotopic Mass:
498.407g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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