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3',6'-bis({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})spiro[2-benzofuran-1,9'-xanthen]-3-one

3',6'-bis({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})spiro[2-benzofuran-1,9'-xanthen]-3-one

CAS: 17817-20-8

Formula: C32H32O15

SMILES: OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C2(OC(=O)C4=C2C=CC=C4)C2=CC=C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C=C2O3)[C@H](O)[C@@H](O)[C@H]1O

IUPAC: 3',6'-bis({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

InChI: InChI=1S/C32H32O15/c33-11-21-23(35)25(37)27(39)30(45-21)42-13-5-7-17-19(9-13)44-20-10-14(43-31-28(40)26(38)24(36)22(12-34)46-31)6-8-18(20)32(17)16-4-2-1-3-15(16)29(41)47-32/h1-10,21-28,30-31,33-40H,11-12H2/t21-,22-,23-,24+,25+,26+,27-,28+,30-,31-,32?/m1/s

Composition: C (58.54%), H (4.91%), O (36.55%)

Molar Mass: 656.593

Atom Count: 79

Heavy Atom Count: 47

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 10
Exact Mass 656.17412033
Formal Charge 0
FSP3 0.41
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 13
Hydrogen Bond Donor Count 8
InChIKey ZTOBILYWTYHOJB-WBCGDKOGSA-N
Lipinski's Rule of Five
Molar Refractivity 155.51
Topological Polar Surface Area 234.29
Polarizability 61.84
Ring Count 7
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 17817-20-8 $218.50$218.50
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