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133005-15-9 | 1H-Naphtho[2,1-b]pyran-7-methanol, 3-ethenyldodecahydro-3,4a,7,10a-tetramethyl-, (3S,4aR,6aR,7R,10aS,10bR)-
CAS No: 133005-15-9 Catalog No: AG0011IK MDL No:MFCD23103676
Product Description
Catalog Number:
AG0011IK
Chemical Name:
1H-Naphtho[2,1-b]pyran-7-methanol, 3-ethenyldodecahydro-3,4a,7,10a-tetramethyl-, (3S,4aR,6aR,7R,10aS,10bR)-
CAS Number:
133005-15-9
Molecular Formula:
C20H34O2
Molecular Weight:
306.4828
MDL Number:
MFCD23103676
IUPAC Name:
[(3S,4aR,6aR,7R,10aS,10bR)-3-ethenyl-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-7-yl]methanol
InChI:
InChI=1S/C20H34O2/c1-6-18(3)12-8-16-19(4)11-7-10-17(2,14-21)15(19)9-13-20(16,5)22-18/h6,15-16,21H,1,7-14H2,2-5H3/t15-,16+,17-,18+,19-,20+/m0/s1
InChI Key:
MONXCRDSDZQGGT-HMGBVJPOSA-N
SMILES:
C=C[C@]1(C)CC[C@H]2[C@@](O1)(C)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CO
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
306.256g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.49g/mol
Monoisotopic Mass:
306.256g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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