CAS Registry Number®
2469-34-3
CAS Name
Senegenin
Molecular Formula
C30H45ClO6
Molecular Mass
537.13
Compound Properties
-
Melting Point (1)
290-292 °C
Source(s)
- (1) Jacobs, Walter A.; Journal of Biological Chemistry, (1937), 119, 155-70, CAplus
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
- Tenuigenin
Deleted or Replaced CAS Registry Numbers
667438-01-9
