Cas no 56663-60-6 (grayanotoxane-3,5,6,7,10,14,16-heptol)
56663-60-6 structure
Product Name:grayanotoxane-3,5,6,7,10,14,16-heptol
CAS No:56663-60-6
MF:C20H34O7
MW:386.47976732254
CID:1602714
PubChem ID:171535
Update Time:2025-04-21
grayanotoxane-3,5,6,7,10,14,16-heptol Chemical and Physical Properties
Names and Identifiers
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- grayanotoxane-3,5,6,7,10,14,16-heptol
- (14R)-Grayanotoxane-3β,5,6β,7α,10,14,16-heptol
- (14R)-Grayanotoxane-3beta,5,6beta,7alpha,10,14,16-heptol
- 56663-60-6
- Bisdeacylasebotoxin V
- Deacylpieristoxin F
- Grayanotoxane-3,5,6,7,10,14,16-heptol, (3-beta,6-beta,7-alpha,14R)-
- Asebotoxin V, bisdeacyl-
- DTXSID50972107
- 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-2,3,4,6,9,14,16-heptol
-
- Inchi： 1S/C20H34O7/c1-16(2)12(21)7-11-18(4,26)10-6-5-9-13(22)19(10,8-17(9,3)25)14(23)15(24)20(11,16)27/h9-15,21-27H,5-8H2,1-4H3
- InChI Key： HRJZZHMMTOORSG-UHFFFAOYSA-N
- SMILES： OC1(C)C2CC(C(C)(C)C2(C(C(C23CC(C)(C(CCC21)C3O)O)O)O)O)O
Computed Properties
- Exact Mass: 386.23045342g/mol
- Monoisotopic Mass: 386.23045342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 0
- Complexity: 654
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 11
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 142?2
grayanotoxane-3,5,6,7,10,14,16-heptol Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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