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6-[({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl 10-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

6-[({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl 10-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

CAS: 915792-03-9

Formula: C61H98O27

SMILES: CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)OC2COC(C)=O)C(O)C(O)C1O

IUPAC: 6-[({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl 10-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

InChI: InChI=1/C61H98O27/c1-25-36(65)40(69)44(73)51(81-25)86-48-32(24-78-26(2)63)84-50(47(76)43(48)72)80-23-31-39(68)42(71)46(75)53(83-31)88-55(77)61-18-16-56(3,4)20-28(61)27-10-11-34-58(7)14-13-35(57(5,6)33(58)12-15-60(34,9)59(27,8)17-19-61)85-54-49(37(66)29(64

Composition: C (57.99%), H (7.82%), O (34.19%)

Molar Mass: 1263.428

Atom Count: 186

Heavy Atom Count: 88

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 32
Exact Mass 1262.629547896
Formal Charge 0
FSP3 0.93
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 25
Hydrogen Bond Donor Count 14
InChIKey NYFPVHPLEGGWHZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 297.35
Topological Polar Surface Area 418.89
Polarizability 122.59
Ring Count 10
Rotatable Bond Count 16

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Wuhan ChemFaces Biochemical Co., Ltd
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 915792-03-9 $225.12$225.12
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Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 915792-03-9 $26,880.00-$4,385.00$4,385.00$26,880.00
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