Cas no 121324-57-0 (16,20-Cyclo-30-norolean-12-en-28-oicacid, 3,11-dioxo- (9CI))
121324-57-0 structure
Product Name:16,20-Cyclo-30-norolean-12-en-28-oicacid, 3,11-dioxo- (9CI)
CAS No:121324-57-0
MF:C29H40O4
MW:452.625509262085
CID:216865
Update Time:2024-01-26
16,20-Cyclo-30-norolean-12-en-28-oicacid, 3,11-dioxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 16,20-Cyclo-30-norolean-12-en-28-oicacid, 3,11-dioxo- (9CI)
- (+)-Pulveric acid
- 7,10-Methano-7aH-cyclopenta[b]chrysene,16,20-cyclo-30-norolean-12-en-28-oic acid deriv.
- Pulvericacid
- 16,20-Cyclo-30-norolean-12-en-28-oic acid, 3,11-dioxo- (9CI)
-
- Inchi： 1S/C29H40O4/c1-24(2)19-7-10-27(5)22(26(19,4)9-8-21(24)31)18(30)13-16-17-14-25(3)11-12-29(17,23(32)33)20(25)15-28(16,27)6/h13,17,19-20,22H,7-12,14-15H2,1-6H3,(H,32,33)/t17-,19-,20?,22+,25-,26-,27+,28+,29+/m0/s1
- InChI Key： OZBFJZOGHNTPKO-UDEVTEHJSA-N
- SMILES： C1(=O)[C@@]([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1=O)[C@]1([C@@]4(CC[C@](C4C3)(C1)C)C(O)=O)[H])C)(C)CC2)[H])(C)C
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.20±0.1 g/cm3(Predicted)
- Boiling Point: 581.6±50.0 °C(Predicted)
- PSA: 52.54
- pka: 4.55±0.70(Predicted)
16,20-Cyclo-30-norolean-12-en-28-oicacid, 3,11-dioxo- (9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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