(2α,3β)-Lup-20(29)-ene-2,3,28-triol
CAS Registry Number®
169134-54-7
CAS Name
(2α,3β)-Lup-20(29)-ene-2,3,28-triolMolecular Formula
C30H50O3Molecular Mass
458.72Cite this Page
(2α,3β)-Lup-20(29)-ene-2,3,28-triol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=169134-54-7 (retrieved ) (CAS RN: 169134-54-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
254-256 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C30H50O3/c1-18(2)19-10-13-30(17-31)15-14-28(6)20(24(19)30)8-9-23-27(5)16-21(32)25(33)26(3,4)22(27)11-12-29(23,28)7/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20+,21+,22-,23+,24+,25-,27-,28+,29+,30+/m0/s1
InChIKey
InChIKey=YTLCVRQYWKFDSE-MYBCYQINSA-N
SMILES
C(O)[C@]12[C@@]([C@@]3([C@](C)([C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)[C@H](O)C5)[H])[H])CC1)[H])([C@H](C(C)=C)CC2)[H]
Canonical SMILES
OCC12CCC(C(=C)C)C2C3CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1
Other Names for this Substance
- Lup-20(29)-ene-2,3,28-triol, (2α,3β)-
- (2α,3β)-Lup-20(29)-ene-2,3,28-triol
- Lup-20(29)-ene-2α,3β,28-triol
- 2-Hydroxybetulin