Cas no 102622-87-7 (20,29,30-Trinorlupan-3-ol,21,28-epoxy-21-(1-methylethyl)-, (3b,21b)- (9CI))
102622-87-7 structure
Product Name:20,29,30-Trinorlupan-3-ol,21,28-epoxy-21-(1-methylethyl)-, (3b,21b)- (9CI)
CAS No:102622-87-7
MF:C30H50O2
MW:442.716809749603
CID:184563
Update Time:2024-03-01
20,29,30-Trinorlupan-3-ol,21,28-epoxy-21-(1-methylethyl)-, (3b,21b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 20,29,30-Trinorlupan-3-ol,21,28-epoxy-21-(1-methylethyl)-, (3b,21b)- (9CI)
- 4H-2,4a-Methano-2H-chryseno[2,1-c]pyran,20,29,30-trinorlupan-3-ol deriv.
- Opigenin
- 20,29,30-Trinorlupan-3-ol, 21,28-epoxy-21-(1-methylethyl)-, (3β,21β)- (9CI)
-
- Inchi： 1S/C30H50O2/c1-19(2)30-16-21-20-8-9-23-26(5)12-11-24(31)25(3,4)22(26)10-13-28(23,7)27(20,6)14-15-29(21,17-30)18-32-30/h19-24,31H,8-18H2,1-7H3/t20-,21-,22+,23-,24+,26+,27-,28-,29+,30+/m1/s1
- InChI Key： DBAQQMUYNLXHMI-ZRDAXZMLSA-N
- SMILES： [C@@H]1(O)[C@@]([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@@]1([C@]4(C[C@@](C(C)C)(OC4)C1)CC3)[H])C)(C)CC2)[H])(C)C
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.06±0.1 g/cm3(Predicted)
- Boiling Point: 512.1±23.0 °C(Predicted)
- PSA: 52.54
- pka: 15.19±0.70(Predicted)
20,29,30-Trinorlupan-3-ol,21,28-epoxy-21-(1-methylethyl)-, (3b,21b)- (9CI) Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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