Cas no 1896-77-1 ((4aS)-10c-Acetoxy-2.2.6at.6bc.9.9.12ac-heptamethyl-4ar-acetoxymethyl-(8atH.12btH.14bcH)-Delta14-eicosahydro-picen)
1896-77-1 structure
Product Name:(4aS)-10c-Acetoxy-2.2.6at.6bc.9.9.12ac-heptamethyl-4ar-acetoxymethyl-(8atH.12btH.14bcH)-Delta14-eicosahydro-picen
CAS No:1896-77-1
MF:C34H54O4
MW:526.790171146393
CID:2003366
PubChem ID:21633449
Update Time:2025-04-21
(4aS)-10c-Acetoxy-2.2.6at.6bc.9.9.12ac-heptamethyl-4ar-acetoxymethyl-(8atH.12btH.14bcH)-Delta14-eicosahydro-picen Chemical and Physical Properties
Names and Identifiers
-
- (4aS)-10c-Acetoxy-2.2.6at.6bc.9.9.12ac-heptamethyl-4ar-acetoxymethyl-(8atH.12btH.14bcH)-Delta14-eicosahydro-picen
- 3beta,28-Diacetoxy-olean-12-en
- 3beta,28-diacetoxy-olean-12-ene
- Di-O-acetyl-erythrodiol
- erythrodiol diacetate
- Oleanen-(12)-diyl-(3beta.28)-diacetat
- Olean-12-ene-3β,28-diol diacetate
- DGYMSRDXTBOSQL-UHFFFAOYSA-N
- Olean-12-ene-3.beta.,28-diol, diacetate
- 1896-77-1
- 28-(Acetyloxy)olean-12-en-3-yl acetate #
- Olean-12-ene-3beta,28-diol diacetate
- Olean-12-ene-3,28-diol, diacetate, (3.beta.)-
- [(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
- CS-0892557
- HY-N12160
- CHEMBL501812
-
- Inchi： 1S/C34H54O4/c1-22(35)37-21-34-18-16-29(3,4)20-25(34)24-10-11-27-31(7)14-13-28(38-23(2)36)30(5,6)26(31)12-15-33(27,9)32(24,8)17-19-34/h10,25-28H,11-21H2,1-9H3/t25-,26-,27+,28-,31-,32+,33+,34+/m0/s1
- InChI Key： DGYMSRDXTBOSQL-HYOGYQTGSA-N
- SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(COC(C)=O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12
Computed Properties
- Exact Mass: 526.40221020g/mol
- Monoisotopic Mass: 526.40221020g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 38
- Rotatable Bond Count: 5
- Complexity: 1020
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6?2
- XLogP3: 8.7
(4aS)-10c-Acetoxy-2.2.6at.6bc.9.9.12ac-heptamethyl-4ar-acetoxymethyl-(8atH.12btH.14bcH)-Delta14-eicosahydro-picen Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
1896-77-1 ((4aS)-10c-Acetoxy-2.2.6at.6bc.9.9.12ac-heptamethyl-4ar-acetoxymethyl-(8atH.12btH.14bcH)-Delta14-eicosahydro-picen) Related Products
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