30-Noroleana-12,20(29)-dien-28-oic acid, 3-[(3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-

CAS Registry Number®

219805-92-2
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CAS Name

30-Noroleana-12,20(29)-dien-28-oic acid, 3-[(3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-

Molecular Formula

C46H72O17

Molecular Mass

897.05

Cite this Page

30-Noroleana-12,20(29)-dien-28-oic acid, 3-[(3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=219805-92-2 (retrieved 2024-09-20) (CAS RN: 219805-92-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H72O17/c1-21-9-14-46(41(57)63-39-35(55)33(53)31(51)25(18-47)59-39)16-15-44(5)22(23(46)17-21)7-8-28-43(4)12-11-29(42(2,3)27(43)10-13-45(28,44)6)61-40-36(56)37(32(52)26(19-48)60-40)62-38-34(54)30(50)24(49)20-58-38/h7,23-40,47-56H,1,8-20H2,2-6H3/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36+,37-,38-,39-,40-,43-,44+,45+,46-/m0/s1

InChIKey

InChIKey=QZBYGEKYDGDDGT-DGSRJURDSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)CO8)[C@H](O)[C@@H](CO)O7)CC6)[H])[H])(CC(=C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(=C)CC3C4=CCC5C6(C)CCC(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • 30-Noroleana-12,20(29)-dien-28-oic acid, 3-[(3-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-