Astragenol[黄芪醇]

86541-79-9

CAS Name

(3β,6α,16β,20R,24S)-20,24-Epoxylanost-9(11)-ene-3,6,16,25-tetrol

Molecular Formula

C₃₀H₅₀O₅

Molecular Mass

490.71

Other Names and Identifiers

InChI

InChI=1S/C30H50O5/c1-25(2)21(33)10-12-27(5)17-9-13-28(6)24(30(8)14-11-22(35-30)26(3,4)34)20(32)16-29(28,7)18(17)15-19(31)23(25)27/h9,18-24,31-34H,10-16H2,1-8H3/t18-,19+,20+,21+,22+,23+,24+,27-,28-,29+,30-/m1/s1

InChIKey

InChIKey=KNESISUQBYQIIU-LOIFQKOGSA-N

SMILES

C[C@@]12[C@](C)([C@]3(C(=CC1)[C@]4(C)[C@@]([C@@H](O)C3)(C(C)(C)[C@@H](O)CC4)[H])[H])C[C@H](O)[C@@]2([C@]5(C)O[C@H](C(C)(C)O)CC5)[H]

Canonical SMILES

OC1CC2C(=CCC3(C)C(C(O)CC23C)C4(OC(CC4)C(O)(C)C)C)C5(C)CCC(O)C(C)(C)C15

Other Names for this Substance