(3β,4α,16α,21β,22α)-3,16,21,28-Tetrahydroxy-22-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-23-al

CAS Registry Number®

200492-42-8
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CAS Name

(3β,4α,16α,21β,22α)-3,16,21,28-Tetrahydroxy-22-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-23-al

Molecular Formula

C35H54O7

Molecular Mass

586.80

Cite this Page

(3β,4α,16α,21β,22α)-3,16,21,28-Tetrahydroxy-22-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-23-al.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=200492-42-8 (retrieved 2024-09-19) (CAS RN: 200492-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H54O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,18,22-28,37-40H,11-17,19H2,1-8H3/b20-9-/t22-,23+,24+,25-,26+,27-,28-,31-,32-,33+,34+,35-/m0/s1

InChIKey

InChIKey=IQYIDEWXVLGTDZ-UYSNZYMISA-N

SMILES

C(O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](C=O)(C)[C@@H](O)CC5)[H])[H])(CC(C)(C)[C@@H](O)[C@@H]2OC(/C(=C\C)/C)=O)[H]

Canonical SMILES

O=CC1(C)C(O)CCC2(C)C1CCC3(C)C2CC=C4C5CC(C)(C)C(O)C(OC(=O)C(=CC)C)C5(CO)C(O)CC43C

Other Names for this Substance

  • Olean-12-en-23-al, 3,16,21,28-tetrahydroxy-22-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-, (3β,4α,16α,21β,22α)-
  • Olean-12-en-23-al, 3,16,21,28-tetrahydroxy-22-[(2-methyl-1-oxo-2-butenyl)oxy]-, [3β,4α,16α,21β,22α(Z)]-
  • (3β,4α,16α,21β,22α)-3,16,21,28-Tetrahydroxy-22-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-23-al