Cas no 28580-39-4 (Cucurbitacin I)
Cucurbitacin I structure
Product Name:Cucurbitacin I
CAS No:28580-39-4
MF:C30H42O7
MW:514.65029001236
CID:1995409
PubChem ID:5281321
Update Time:2025-04-21
Cucurbitacin I Chemical and Physical Properties
Names and Identifiers
-
- Cucurbitacin I
- Elatericin B
- C08800
- CS-5431
- CHEBI:3947
- NSC-112167
- 2222-07-3
- EINECS 218-736-8
- Elatericin B; JSI-124; NSC-521777
- NSC521777
- UNII-SHQ47990PH
- CUCURBITACCINE (I)
- 19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)-
- 28580-39-4
- 2,16,20,25-Terahydroxycucurbita-1,5,23-triene-3,11,22-trione - Iberis umbellata (candytuft)
- 19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)-(VAN)
- 2,16?,20,25-Tetrahydroxy-9-methyl-19-nor-9?,10?-lanosta-1,5,23-triene-3,11,22-trione;Elatericin B
- 2,16alpha,20,25-Tetrahydroxy-9beta-methyl-10alpha-19-norlanosta-1,5,23(E)-triene-3,11,22-trione
- (4R,9beta,16alpha,23E)-2,16,20,25-tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione
- CHEMBL387737
- 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-
- MLS002702902
- HY-N1405
- 1,2-Dehydroelatericin A
- 19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)- (VAN)
- JSI124
- SCHEMBL15914446
- LMST01010110
- NISPVUDLMHQFRQ-MKIKIEMVSA-N
- JSI 124
- DTXSID501015546
- 19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-
- 19-Norlanosta-1,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.)- (VA
- Cucurbitacin I (Elatericin B)
- 19-nor-9.beta.,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-
- (8S,9R,10R,13R,14S,16R,17R)-17-((E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta(a)phenanthrene-3,11-dione
- DTXCID501473809
- Q27106265
- NSC 112167
- SCHEMBL2523066
- F85354
- 19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)-(VAN) (9CI)
- HY-N1405R
- GLXC-10147
- Cucurbitacin I - Bio-X trade mark
- 2,16a,20,25-Tetrahydroxy-9-methyl-19-Nor-9b,10a-lanosta-1,5,23-triene-3,11,22-trione;Elatericin B
- BC300056
- FC64989
- Cucurbitacin I (Standard)
- AKOS024456675
- (8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
- JSI-124
- NSC-521777
- MS-29560
- XT170627
- Elatericin B;JSI-124;NSC-521777
- 19-NORLANOSTA-1,5,23-TRIENE-3,11,22-TRIONE, 2,16,20,25-TETRAHYDROXY-9-METHYL-, (9BETA,10ALPHA,16ALPHA,23E)-
- SHQ47990PH
- NSC 521777
- NSC112167
- NCGC00388208-02
- (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
- Cucurbitacine (I)
-
- Inchi： 1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1
- InChI Key： NISPVUDLMHQFRQ-MKIKIEMVSA-N
- SMILES： O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(C(=C[C@H]4[C@]3(C)C(C[C@]2(C)[C@H]1[C@@](C(/C=C/C(C)(C)O)=O)(C)O)=O)O)=O
Computed Properties
- Exact Mass: 514.29305367Da
- Monoisotopic Mass: 514.29305367Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 37
- Rotatable Bond Count: 4
- Complexity: 1160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 132?2
Cucurbitacin I Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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