20(R)-Ginsenoside

C₃₆H₆₂O₈CAS 112246-15-8622.88 g/mol

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Acetal Alcohol Alkene Ether

Properties

Molecular formula: C₃₆H₆₂O₈
Molar mass: 622.88 g/mol
Exact mass: 622.4445 Da
logP: 4.32Crippen estimate
Polar surface area: 139.8 Å²
H-bond donors / acceptors: 6 / 8
Rotatable bonds: 7
Stereocentres: R, S, R, R, R, R, R, R, R, S, R, R, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

112246-15-8

SMILES

CC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O)C

InChIKey

CKUVNOCSBYYHIS-SUEBGMEDSA-N

InChI

InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36+/m0/s1