Senegenin

CAS Registry Number®

2469-34-3
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CAS Name

Senegenin

Molecular Formula

C30H45ClO6

Molecular Mass

537.13

Cite this Page

Senegenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2469-34-3 (retrieved 2024-05-18) (CAS RN: 2469-34-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    290-292 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H45ClO6/c1-26(2)10-11-30(25(36)37)9-6-17-22(18(30)13-26)16(15-31)12-21-27(17,3)8-7-20-28(21,4)14-19(32)23(33)29(20,5)24(34)35/h16,18-21,23,32-33H,6-15H2,1-5H3,(H,34,35)(H,36,37)/t16-,18+,19+,20-,21+,23+,27+,28+,29+,30-/m1/s1

InChIKey

InChIKey=CWHJIJJSDGEHNS-MYLFLSLOSA-N

SMILES

C[C@@]12[C@@]3([C@](C)(C4=C([C@@H](CCl)C3)[C@]5([C@@](C(O)=O)(CC4)CCC(C)(C)C5)[H])CC[C@]1([C@@](C(O)=O)(C)[C@@H](O)[C@@H](O)C2)[H])[H]

Canonical SMILES

O=C(O)C12CCC3=C(C(CCl)CC4C3(C)CCC5C(C(=O)O)(C)C(O)C(O)CC54C)C2CC(C)(C)CC1

Other Names for this Substance

  • 27-Norolean-13-ene-23,28-dioic acid, 12-(chloromethyl)-2,3-dihydroxy-, (2β,3β,4α,12α)-
  • 27-Norolean-13-ene-23,28-dioic acid, 12-(chloromethyl)-2β,3β-dihydroxy-
  • Senegenin
  • (2β,3β,4α,12α)-12-(Chloromethyl)-2,3-dihydroxy-27-norolean-13-ene-23,28-dioic acid
  • 12-(Chloromethyl)-2β,3β-dihydroxy-27-norolean-13-ene-23,28-dioic acid

View All

Deleted or Replaced CAS Registry Numbers

667438-01-9

CAS INSIGHTSTM
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