CAS No.64432-06-0,DULCOSIDEA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64432-06-0
Name:	DULCOSIDEA

Formula:	C₃₈H₆₀O₁₇
Molecular Weight:	788.875
Synonyms:	DulcosideA;
Density:	1.49±0.1 g/cm3(Predicted)
Melting Point:	193～195℃
Boiling Point:	928.4±65.0 °C(Predicted)
PSA:	274.75000
LogP:	-1.91050

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Specification

The Dulcoside A, with the CAS registry number 64432-06-0, is also known as CCRIS 6117 and CHEBI:556367. This chemical's molecular formula is C₃₈H₆₀O₁₇ and molecular weight is 788.875.

Physical properties of Dulcoside A: (1)XLogP3-AA: -0.7; (2)H-Bond Donor: 10; (3)H-Bond Acceptor: 17; (4)Rotatable Bond Count: 9; (5)Exact Mass: 788.383051; (6)MonoIsotopic Mass: 788.383051; (7)Topological Polar Surface Area: 275; (8)Heavy Atom Count: 55; (9)Formal Charge: 0; (10)Complexity: 1430; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 21; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1C(C(C(C(O1)OC23CCC4C5(CCCC(C5CCC4(C2)CC3=C)(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C)OC7C(C(C(C(O7)CO)O)O)O)O)O
(2)Isomeric SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@]23CC[C@H]4[C@@]5(CCC[C@@]([C@H]5CC[C@]4(C2)CC3=C)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O
(3)InChI: InChI=1S/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)24(43)19(14-40)52-32)21(37)7-11-38(16,15-37)55-33-30(27(46)22(41)17(2)50-33)53-31-28(47)25(44)23(42)18(13-39)51-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33+,35-,36-,37-,38+/m1/s1
(4)InChIKey: LEBSTMQAJXQHTF-HUSZWEJMSA-N