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2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.0¹?,²?]octatriaconta-1(34),15,17,19,35,37-hexaene

2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.0¹?,²?]octatriaconta-1(34),15,17,19,35,37-hexaene

CAS: 17455-25-3

Formula: C28H40O10

SMILES: C1COCCOC2=CC=CC=C2OCCOCCOCCOCCOC2=C(OCCOCCO1)C=CC=C2

IUPAC: 2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.0¹?,²?]octatriaconta-1(34),15,17,19,35,37-hexaene

InChI: InChI=1S/C28H40O10/c1-2-6-26-25(5-1)35-21-17-31-13-9-29-11-15-33-19-23-37-27-7-3-4-8-28(27)38-24-20-34-16-12-30-10-14-32-18-22-36-26/h1-8H,9-24H2

Composition: C (62.67%), H (7.51%), O (29.81%)

Molar Mass: 536.618

Atom Count: 78

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 536.262147488
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 0
InChIKey MXCSCGGRLMRZMF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 140.29
Topological Polar Surface Area 92.3
Polarizability 55.59
Ring Count 3
Rotatable Bond Count 0

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