Cas no 37318-84-6 (7,8-(Epoxymethano)-4bH-1-benzopyrano[5',6':6,7]indeno[1,2-b]cyclobuta[5,6]benz[1,2-e]indole-3,4b-diol,12-chloro-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-,(2R,3R,4bR,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)- (9CI))
37318-84-6 structure
Product Name:7,8-(Epoxymethano)-4bH-1-benzopyrano[5',6':6,7]indeno[1,2-b]cyclobuta[5,6]benz[1,2-e]indole-3,4b-diol,12-chloro-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-,(2R,3R,4bR,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)- (9CI)
CAS No:37318-84-6
MF:C37H44ClNO4
MW:602.202569961548
CID:312046
PubChem ID:76316105
Update Time:2025-04-19
7,8-(Epoxymethano)-4bH-1-benzopyrano[5',6':6,7]indeno[1,2-b]cyclobuta[5,6]benz[1,2-e]indole-3,4b-diol,12-chloro-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-,(2R,3R,4bR,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 7,8-(Epoxymethano)-4bH-1-benzopyrano[5',6':6,7]indeno[1,2-b]cyclobuta[5,6]benz[1,2-e]indole-3,4b-diol,12-chloro-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-,(2R,3R,4bR,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)- (9CI)
- 37318-84-6
- CHEMBL2272679
- C20795
- Penitrem C
- 7,8-(Epoxymethano)-4bH-1-benzopyrano(5',6':6,7)indeno(1,2-b)cyclobuta(5,6)benz(1,2-e)indole-3,4b-diol, 12-chloro-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-, (2R,3R,4bR,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-
- 5GTV3VH5D6
- UNII-5GTV3VH5D6
- TREMORTIN C
- 20-chloro-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18,20,28-pentaene-5,8-diol
- NS00075441
- CHEBI:190262
- DTXSID40896964
-
- Inchi: 1S/C37H44ClNO4/c1-16(2)31-25(40)14-21-26(42-31)9-10-35(6)36(7)20(8-11-37(21,35)41)32-30-29-24(39-33(30)36)15-23(38)19-12-17(3)18-13-22(27(18)28(19)29)34(4,5)43-32/h14-15,18,20,22,25-27,31-32,39-41H,1,3,8-13H2,2,4-7H3/t18-,20+,22+,25-,26+,27+,31-,32+,35-,36-,37-/m1/s1
- InChI Key: BVVRIERIEDMORG-UWOVGSIKSA-N
- SMILES: ClC1C=C2C3=C4C=1CC(=C)[C@H]1C[C@H](C(C)(C)O[C@@H]5C3=C([C@@]3(C)[C@H]5CC[C@]5(C6=C[C@H]([C@@H](C(=C)C)O[C@H]6CC[C@]35C)O)O)N2)[C@H]14
Computed Properties
- Exact Mass: 601.296
- Monoisotopic Mass: 601.296
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 43
- Rotatable Bond Count: 1
- Complexity: 1330
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.7A^2
- XLogP3: 5
Experimental Properties
- Density: 1.34
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.673
7,8-(Epoxymethano)-4bH-1-benzopyrano[5',6':6,7]indeno[1,2-b]cyclobuta[5,6]benz[1,2-e]indole-3,4b-diol,12-chloro-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-,(2R,3R,4bR,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)- (9CI) Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
37318-84-6 (7,8-(Epoxymethano)-4bH-1-benzopyrano[5',6':6,7]indeno[1,2-b]cyclobuta[5,6]benz[1,2-e]indole-3,4b-diol,12-chloro-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-,(2R,3R,4bR,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)- (9CI)) Related Products
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