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

CAS Registry Number®

333334-42-2

CAS Name

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

Molecular Formula

C38H62O21

Molecular Mass

854.89

Cite this Page

Kauran-18-oic acid, 17-(β-D-glucopyranosyloxy)-6,7,13-trihydroxy-, 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=333334-42-2 (retrieved 2024-11-26) (CAS RN: 333334-42-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H62O21/c1-35-5-3-6-36(2,34(52)59-33-28(24(47)21(44)17(11-41)57-33)58-32-26(49)23(46)20(43)16(10-40)56-32)29(35)27(50)30(51)37-8-14(38(53,13-37)7-4-18(35)37)12-54-31-25(48)22(45)19(42)15(9-39)55-31/h14-33,39-51,53H,3-13H2,1-2H3/t14-,15+,16+,17+,18-,19+,20+,21+,22-,23-,24-,25+,26+,27-,28+,29-,30-,31+,32-,33-,35-,36+,37-,38-/m0/s1

InChIKey

InChIKey=KOGDNIPXKVTMKI-CWXHCRBNSA-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[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)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(CC6COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C34

Other Names for this Substance

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

CAS INSIGHTSTM
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