Name: Japondipsaponin E1
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HIT ID:HIT218679396
Cas No:
Common Name:Japondipsaponin E1
IUPAC:3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-({3-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
IUPAC:3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-({3-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
InChI key:PBZLWDJLELZIJE-UHFFFAOYSA-N

Molecular Formula:C59H96O26
Molecular Weight:1221.391
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(C)OC(OC4C(O)C(O)COC4OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(CCC65C)C(=O)OC5OC(CO)C(O)C(O)C5O)C4(C)CO)C3O)C2O)C(O)C(O)C1O
SMILES:CC1OC(OC2C(O)C(CO)OC(OC3C(O)C(C)OC(OC4C(O)C(O)COC4OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(CCC65C)C(=O)OC5OC(CO)C(O)C(O)C5O)C4(C)CO)C3O)C2O)C(O)C(O)C1O

Japondipsaponin E1 is a natural product that can be used as a reference standard. The CAS number of Japondipsaponin E1 is 175586-66-0.

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