Kauran-18-oic acid, 6,7,13,17-tetrahydroxy-, 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (4α,6β,7β,16α)-

CAS Registry Number®

333334-43-3
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CAS Name

Kauran-18-oic acid, 6,7,13,17-tetrahydroxy-, 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (4α,6β,7β,16α)-

Molecular Formula

C32H52O16

Molecular Mass

692.75

Cite this Page

Kauran-18-oic acid, 6,7,13,17-tetrahydroxy-, 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (4α,6β,7β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=333334-43-3 (retrieved 2024-09-22) (CAS RN: 333334-43-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H52O16/c1-29-5-3-6-30(2,24(29)22(41)25(42)31-8-13(9-33)32(44,12-31)7-4-16(29)31)28(43)48-27-23(20(39)18(37)15(11-35)46-27)47-26-21(40)19(38)17(36)14(10-34)45-26/h13-27,33-42,44H,3-12H2,1-2H3/t13-,14+,15+,16-,17+,18+,19-,20-,21+,22-,23+,24-,25-,26-,27-,29-,30+,31-,32-/m0/s1

InChIKey

InChIKey=YOTRDVISFUJMJN-FCNWIPBUSA-N

SMILES

O[C@@H]1[C@]23[C@]([C@@]4(C)[C@]([C@@H]1O)([C@@](C(O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](CO)O5)=O)(C)CCC4)[H])(CC[C@](O)(C2)[C@H](CO)C3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O)C3(C)CCCC4(C)C5CCC6(O)CC5(CC6CO)C(O)C(O)C34

Other Names for this Substance

  • Kauran-18-oic acid, 6,7,13,17-tetrahydroxy-, 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (4α,6β,7β,16α)-
  • Pisumoside B