(2β,3β,4α)-2,3-Dihydroxy-27-norolean-13-ene-23,28-dioic acid

CAS Registry Number®

1260-04-4
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CAS Name

(2β,3β,4α)-2,3-Dihydroxy-27-norolean-13-ene-23,28-dioic acid

Molecular Formula

C29H44O6

Molecular Mass

488.66

Cite this Page

(2β,3β,4α)-2,3-Dihydroxy-27-norolean-13-ene-23,28-dioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1260-04-4 (retrieved 2024-06-26) (CAS RN: 1260-04-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    299-301 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H44O6/c1-25(2)12-13-29(24(34)35)11-8-17-16(18(29)14-25)6-7-20-26(17,3)10-9-21-27(20,4)15-19(30)22(31)28(21,5)23(32)33/h18-22,30-31H,6-15H2,1-5H3,(H,32,33)(H,34,35)/t18-,19-,20-,21+,22-,26-,27+,28-,29+/m0/s1

InChIKey

InChIKey=VZRKWGPIZJDNHC-LUNVCWBOSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@@](C(O)=O)(C)[C@@H](O)[C@@H](O)C3)[H])(CCC4=C2CC[C@]5(C(O)=O)[C@]4(CC(C)(C)CC5)[H])[H]

Canonical SMILES

O=C(O)C12CCC3=C(CCC4C3(C)CCC5C(C(=O)O)(C)C(O)C(O)CC45C)C2CC(C)(C)CC1

Other Names for this Substance

  • 27-Norolean-13-ene-23,28-dioic acid, 2,3-dihydroxy-, (2β,3β,4α)-
  • 27-Norolean-13-ene-23,28-dioic acid, 2β,3β-dihydroxy-
  • (2β,3β,4α)-2,3-Dihydroxy-27-norolean-13-ene-23,28-dioic acid
  • Polygalic acid
  • Senegenic acid