26-Norolean-8-ene-3,7,29-triol, 13-methyl-, 3-(4-aminobenzoate) 29-benzoate, (3α,7α,13α,14β,20α)-

CAS Registry Number®

308811-92-9
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CAS Name

26-Norolean-8-ene-3,7,29-triol, 13-methyl-, 3-(4-aminobenzoate) 29-benzoate, (3α,7α,13α,14β,20α)-

Molecular Formula

C44H59NO5

Molecular Mass

681.94

Cite this Page

26-Norolean-8-ene-3,7,29-triol, 13-methyl-, 3-(4-aminobenzoate) 29-benzoate, (3α,7α,13α,14β,20α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=308811-92-9 (retrieved 2024-09-20) (CAS RN: 308811-92-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H59NO5/c1-39(2)33-25-32(46)36-31(42(33,5)19-18-35(39)50-38(48)29-13-15-30(45)16-14-29)17-20-43(6)34-26-40(3,21-22-41(34,4)23-24-44(36,43)7)27-49-37(47)28-11-9-8-10-12-28/h8-16,32-35,46H,17-27,45H2,1-7H3/t32-,33+,34-,35-,40-,41-,42-,43+,44-/m1/s1

InChIKey

InChIKey=PRAFKBSUIBLSSV-OEMFVMRKSA-N

SMILES

C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@](COC(=O)C4=CC=CC=C4)(C)C3)[H])CCC5=C2[C@H](O)C[C@@]6([C@]5(C)CC[C@@H](OC(=O)C7=CC=C(N)C=C7)C6(C)C)[H]

Canonical SMILES

O=C(OCC1(C)CCC2(C)CCC3(C4=C(CCC3(C)C2C1)C5(C)CCC(OC(=O)C6=CC=C(N)C=C6)C(C)(C)C5CC4O)C)C=7C=CC=CC7

Other Names for this Substance

  • 26-Norolean-8-ene-3,7,29-triol, 13-methyl-, 3-(4-aminobenzoate) 29-benzoate, (3α,7α,13α,14β,20α)-