β-D-Glucopyranoside, (3β,7β,9β,10α,16β)-3-[(3,4-di-O-acetyl-β-D-xylopyranosyl)oxy]-7-hydroxy-9-methyl-19-norlanosta-5,24-dien-16-yl, 4,6-diacetate

CAS Registry Number®

138995-52-5

CAS Name

β-D-Glucopyranoside, (3β,7β,9β,10α,16β)-3-[(3,4-di-O-acetyl-β-D-xylopyranosyl)oxy]-7-hydroxy-9-methyl-19-norlanosta-5,24-dien-16-yl, 4,6-diacetate

Molecular Formula

C49H76O16

Molecular Mass

921.12

Cite this Page

β-D-Glucopyranoside, (3β,7β,9β,10α,16β)-3-[(3,4-di-O-acetyl-β-D-xylopyranosyl)oxy]-7-hydroxy-9-methyl-19-norlanosta-5,24-dien-16-yl, 4,6-diacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=138995-52-5 (retrieved 2024-11-05) (CAS RN: 138995-52-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H76O16/c1-24(2)14-13-15-25(3)37-33(63-45-39(56)38(55)41(61-28(6)52)35(64-45)22-58-26(4)50)21-49(12)43-32(54)20-31-30(47(43,10)18-19-48(37,49)11)16-17-36(46(31,8)9)65-44-40(57)42(62-29(7)53)34(23-59-44)60-27(5)51/h14,20,25,30,32-45,54-57H,13,15-19,21-23H2,1-12H3

InChIKey

InChIKey=UXLRAUFZYMHXTO-UHFFFAOYSA-N

SMILES

CC12C3C(C)(C4C(=CC3O)C(C)(C)C(OC5C(O)C(OC(C)=O)C(OC(C)=O)CO5)CC4)CCC1(C)C(C(CCC=C(C)C)C)C(OC6OC(COC(C)=O)C(OC(C)=O)C(O)C6O)C2

Canonical SMILES

O=C(OCC1OC(OC2CC3(C)C4C(O)C=C5C(CCC(OC6OCC(OC(=O)C)C(OC(=O)C)C6O)C5(C)C)C4(C)CCC3(C)C2C(C)CCC=C(C)C)C(O)C(O)C1OC(=O)C)C

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,7β,9β,10α,16β)-3-[(3,4-di-O-acetyl-β-D-xylopyranosyl)oxy]-7-hydroxy-9-methyl-19-norlanosta-5,24-dien-16-yl, 4,6-diacetate
  • 19-Norlanostane, β-D-glucopyranoside deriv.
  • Hebevinoside XIII

CAS INSIGHTSTM
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