deoxy-BIGCHAP

CAS Registry Number®

86303-23-3
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CAS Name

deoxy-BIGCHAP

Molecular Formula

C42H75N3O15

Molecular Mass

862.06

Cite this Page

deoxy-BIGCHAP.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=86303-23-3 (retrieved 2024-04-28) (CAS RN: 86303-23-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1

InChIKey

InChIKey=OJSUWTDDXLCUFR-HGZMBBKESA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(N(CCCNC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)=O)CCCNC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)=O)=O)C)[H])[H]

Canonical SMILES

O=C(N(CCCNC(=O)C(O)C(O)C(O)C(O)CO)CCCNC(=O)C(O)C(O)C(O)C(O)CO)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • D-Gluconamide, N,N′-[[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]imino]di-3,1-propanediyl]bis-
  • Cholane, D-gluconamide deriv.
  • N,N′-[[[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]imino]di-3,1-propanediyl]bis[D-gluconamide]
  • N,N′-Bis(3-D-gluconamidopropyl)deoxycholamide
  • deoxy-BIGCHAP

Deleted or Replaced CAS Registry Numbers

105496-19-3

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