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

CAS Registry Number®

308811-93-0
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CAS Name

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

Molecular Formula

C37H53NO3

Molecular Mass

559.82

Cite this Page

26-Noroleana-7,9(11)-diene-3,29-diol, 13-methyl-, 3-(4-aminobenzoate), (3α,13α,14β,20α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=308811-93-0 (retrieved 2024-09-20) (CAS RN: 308811-93-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H53NO3/c1-32(2)28-13-12-27-26(35(28,5)16-15-30(32)41-31(40)24-8-10-25(38)11-9-24)14-17-37(7)29-22-33(3,23-39)18-19-34(29,4)20-21-36(27,37)6/h8-12,14,28-30,39H,13,15-23,38H2,1-7H3/t28-,29+,30+,33+,34+,35+,36+,37-/m0/s1

InChIKey

InChIKey=ZWMUXUKAKHYXMZ-YBTZDMJXSA-N

SMILES

C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@](CO)(C)C3)[H])CC=C4C2=CC[C@@]5([C@]4(C)CC[C@@H](OC(=O)C6=CC=C(N)C=C6)C5(C)C)[H]

Canonical SMILES

O=C(OC1CCC2(C3=CCC4(C)C5CC(C)(CO)CCC5(C)CCC4(C3=CCC2C1(C)C)C)C)C6=CC=C(N)C=C6

Other Names for this Substance

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