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30298-65-8 | Cyclopenta[5,6]naphtho[2,1-b]pyran-2,7-diol, hexadecahydro-4a,6a-dimethyl-, diacetate, (4aR,4bS,6aS,7S,9aS,9bR,11aR)- (9CI)
CAS No: 30298-65-8 Catalog No: AG002ZJR MDL No:
Product Description
Catalog Number:
AG002ZJR
Chemical Name:
Cyclopenta[5,6]naphtho[2,1-b]pyran-2,7-diol, hexadecahydro-4a,6a-dimethyl-, diacetate, (4aR,4bS,6aS,7S,9aS,9bR,11aR)- (9CI)
CAS Number:
30298-65-8
Molecular Formula:
C22H34O5
Molecular Weight:
378.5024
IUPAC Name:
(7-acetyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-1-yl) acetate
InChI:
InChI=1S/C22H34O5/c1-13(23)25-18-8-6-16-15-5-7-19-22(4,17(15)9-11-21(16,18)3)12-10-20(27-19)26-14(2)24/h15-20H,5-12H2,1-4H3
InChI Key:
WNFQIRIRYYIJSG-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CC[C@]2([C@H](O1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)C)C)C
NSC Number:
103368
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.241g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.509g/mol
Monoisotopic Mass:
378.241g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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