26-Noroleana-7,9(11)-diene-3,29-diol, 13-methyl-, 3-(4-aminobenzoate) 29-benzoate, (3α,13α,14β,20α)-

CAS Registry Number®

246248-10-2

CAS Name

26-Noroleana-7,9(11)-diene-3,29-diol, 13-methyl-, 3-(4-aminobenzoate) 29-benzoate, (3α,13α,14β,20α)-

Molecular Formula

C44H57NO4

Molecular Mass

663.93

Cite this Page

26-Noroleana-7,9(11)-diene-3,29-diol, 13-methyl-, 3-(4-aminobenzoate) 29-benzoate, (3α,13α,14β,20α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=246248-10-2 (retrieved 2024-11-22) (CAS RN: 246248-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H57NO4/c1-39(2)34-18-17-33-32(42(34,5)21-20-36(39)49-38(47)30-13-15-31(45)16-14-30)19-22-44(7)35-27-40(3,23-24-41(35,4)25-26-43(33,44)6)28-48-37(46)29-11-9-8-10-12-29/h8-17,19,34-36H,18,20-28,45H2,1-7H3/t34-,35+,36+,40+,41+,42+,43+,44-/m0/s1

InChIKey

InChIKey=VKNUHXUEPNYSDN-GJSTXJOSSA-N

SMILES

C[C@@]12C=3C([C@]4(C)[C@@](CC3)(C(C)(C)[C@H](OC(=O)C5=CC=C(N)C=C5)CC4)[H])=CC[C@@]1(C)[C@]6([C@@](C)(CC2)CC[C@](COC(=O)C7=CC=CC=C7)(C)C6)[H]

Canonical SMILES

O=C(OCC1(C)CCC2(C)CCC3(C4=CCC5C(C4=CCC3(C)C2C1)(C)CCC(OC(=O)C6=CC=C(N)C=C6)C5(C)C)C)C=7C=CC=CC7

Other Names for this Substance

  • 26-Noroleana-7,9(11)-diene-3,29-diol, 13-methyl-, 3-(4-aminobenzoate) 29-benzoate, (3α,13α,14β,20α)-
  • Zucchini factor B

CAS INSIGHTSTM
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