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
C44H57NO4Molecular Mass
663.93Cite 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 ) (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